PhytoHub: Showing entry for Aloe-emodin

Aloe-emodin

Identification

PhytoHub ID

PHUB002550

Name

Aloe-emodin

Systematic Name

Not Available

Synonyms

1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione
1,8-Dihydroxy-3-hydroxymethylanthraquinone
3-(Hydroxymethyl)chrysazin
Aloeemodin
Rhabarberone

CAS Number

481-72-1

Average Mass

270.24

Monoisotopic Mass

270.052823422

Chemical Formula

C₁₅H₁₀O₅

IUPAC Name

Not Available

InChI Key

YDQWDHRMZQUTBA-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

SMILES

OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.01e-01 g/l
LogS (ALOGPS): -2.95
LogP (ALOGPS): 2.39
Hydrogen Acceptors: Not Available
Hydrogen Donors: Not Available
Rotatable Bond Count: Not Available
Polar Surface Area: Not Available
Refractivity: Not Available
Polarizability: Not Available
Formal Charge: Not Available
Physiological Charge: Not Available
pKa (strongest basic): Not Available
pKa (strongest acidic): Not Available
Number of Rings: Not Available
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

PubChem: 10207
ChEBI: 2607
HMDB: HMDB0030829

Taxonomy as Food Phytochemical

Family: Miscellaneous phytochemicals
Class: Miscellaneous phytochemicals
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Anthracenes
Super-class: Benzenoids
Sub-class: Anthraquinones
Direct Parent Name: Anthraquinones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Aromatic alcohols", "Aryl ketones", "Hydrocarbon derivatives", "Organic oxides", "Primary alcohols", "Vinylogous acids"]
External Descriptor Annotations: ["Anthracenes and phenanthrenes", "Anthraquinone type", "aromatic primary alcohol", "dihydroxyanthraquinone"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "9,10-anthraquinone", "Alcohol", "Anthraquinone", "Aromatic alcohol", "Aromatic homopolycyclic compound", "Aryl ketone", "Hydrocarbon derivative", "Ketone", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Primary alcohol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,1.386633011);(120.020578,2.311704741);(122.0362272,1.098530002);(132.020578,0.7022092127);(133.0284026,0.7204062674);(145.9998429,2.447940038);(147.0076675,1.362531831);(148.0154921,4.207470359);(149.0233167,1.756987098);(150.0311413,4.556090414);(151.0389659,2.291094307);(200.0104062,1.010164268);(211.0389659,1.051722902);(212.0467905,0.8617854602);(214.0260554,0.8399111281);(216.0417046,0.6999176376);(224.0104062,1.379783453);(225.0182308,0.8730114765);(226.0260554,2.581134645);(228.0417046,1.359290283);(240.0417046,6.652890756);(241.0450901,1.0605681);(241.0495292,3.63781527);(242.0573538,9.940835235);(243.0607448,1.587697242);(252.0417046,3.728801208);(253.0495292,3.088948117);(254.0209695,0.8821298838);(255.0287941,1.140488974);(269.0444433,0.8273272725);(270.0522679,2.426218779)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(39.02292522,3.417147081);(71.03115062,1.107520983);(73.04679982,8.528999733);(75.02606472,2.234595595);(75.06244902,1.209388281);(89.04171392,2.150904593);(111.0260647,0.823130244);(115.0573631,2.311276732);(127.0573631,1.492801914);(141.0730123,1.41843334);(192.0601018,1.131712639);(266.1152748,0.889767766);(279.0867151,1.698274611);(292.0945397,0.9174298731);(294.1101889,1.362586353);(295.1180135,1.710773053);(370.105103,1.099928582);(384.1207522,1.266535971);(385.1285768,1.477048278);(396.1207522,0.8259180458);(397.1285768,4.767226075);(398.1308453,1.628441494);(413.1234909,2.500055461);(414.1257615,0.85493371);(414.1313155,2.349319374);(415.1391401,1.286040731);(443.1524514,1.57626624);(458.1759252,1.785820542);(471.1473655,4.815941464);(472.1493741,2.002892985);(473.1477092,0.9257852803)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(39.02292522,1.386633011);(120.020578,2.311704741);(122.0362272,1.098530002);(132.020578,0.7022092127);(133.0284026,0.7204062674);(145.9998429,2.447940038);(147.0076675,1.362531831);(148.0154921,4.207470359);(149.0233167,1.756987098);(150.0311413,4.556090414);(151.0389659,2.291094307);(200.0104062,1.010164268);(211.0389659,1.051722902);(212.0467905,0.8617854602);(214.0260554,0.8399111281);(216.0417046,0.6999176376);(224.0104062,1.379783453);(225.0182308,0.8730114765);(226.0260554,2.581134645);(228.0417046,1.359290283);(240.0417046,6.652890756);(241.0450901,1.0605681);(241.0495292,3.63781527);(242.0573538,9.940835235);(243.0607448,1.587697242);(252.0417046,3.728801208);(253.0495292,3.088948117);(254.0209695,0.8821298838);(255.0287941,1.140488974);(269.0444433,0.8273272725);(270.0522679,2.426218779)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.0492,1.73);(153.0182,4.74);(271.0601,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(64.9993,2.8);(83.01265,3.7);(105.03254,2.9);(107.01279,18.4);(108.01906,1.9);(117.03319,100.0);(118.03699,7.4);(121.03069,8.9);(129.03419,1.1);(141.03526,1.4);(149.02232,15.3);(151.00294,12.1);(159.04288,5.4);(168.05972,1.4);(181.06268,1.3);(183.04521,3.2);(186.03146,1.2);(196.05087,1.1);(201.0563,3.7);(227.03896,3.3);(269.04611,2.6)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.0231,2.9);(65.00468,2.3);(89.03885,3.0);(101.03349,1.6);(117.03382,100.0);(118.03865,5.8);(121.02289,1.6);(122.03249,2.1);(129.02829,1.3);(239.05067,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.0178,7.31);(68.9971,4.3);(91.0543,6.35);(119.0492,25.03);(121.0284,6.8);(129.0182,1.82);(141.0699,1.08);(145.0284,5.94);(153.0183,45.64);(163.039,4.13);(169.065,1.03);(171.0288,9.02);(185.0447,1.14);(187.0392,1.73);(197.06,1.22);(225.0548,2.16);(229.0497,2.23);(243.0652,3.43);(271.0602,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0022,2.06);(55.0179,3.13);(63.0229,2.03);(65.0386,27.29);(67.0178,46.57);(68.9971,80.48);(79.0178,3.8);(81.0335,4.54);(83.0128,3.79);(85.0284,1.33);(89.0386,4.32);(91.0542,100.0);(92.9971,1.24);(95.0491,1.73);(97.0284,8.37);(111.044,2.85);(115.0542,13.45);(119.0492,41.76);(121.0284,25.17);(125.0235,2.85);(128.0621,1.47);(131.0492,3.83);(139.0542,1.11);(141.0699,8.53);(145.0284,29.9);(152.0622,1.01);(153.0183,76.74);(155.0491,5.52);(163.0388,2.87);(168.057,3.3);(169.0649,3.97);(171.0288,5.57);(173.0598,1.03);(187.0389,1.26);(197.0599,2.84);(243.0652,1.81);(271.0599,2.73)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0385,5.76);(67.0178,33.16);(68.997,33.25);(79.0178,1.08);(81.0335,2.04);(83.0127,1.68);(85.0284,1.03);(91.0542,47.46);(95.049,1.28);(97.0283,3.01);(111.0076,2.58);(115.0542,3.8);(119.0491,60.07);(121.0283,21.62);(125.0233,2.62);(127.0387,1.31);(129.018,3.04);(131.0491,2.83);(141.0698,5.8);(145.0284,21.27);(153.0181,100.0);(155.0491,2.97);(157.0648,1.03);(163.0389,6.9);(168.0568,1.1);(169.0648,5.24);(171.0287,14.85);(185.0444,1.68);(187.0389,3.01);(197.0596,3.69);(225.0546,2.75);(229.0495,3.11);(243.0651,6.03);(253.049,1.41);(271.06,32.19)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(271.0602,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(271.0601,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(151.00171,1.0);(269.04352,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.04213,9.2);(67.02273,6.3);(69.03117,15.7);(79.01582,16.1);(81.03329,7.3);(83.0144,5.7);(85.03104,7.3);(88.02563,5.7);(89.03379,6.7);(90.2972,4.0);(91.05463,100.0);(92.0592,18.4);(92.99574,6.5);(101.02754,8.8);(102.85165,6.9);(107.00777,7.5);(108.04816,5.2);(111.01191,4.8);(112.01357,4.2);(116.0634,6.3);(117.02688,13.6);(119.04742,4.6);(121.02523,17.4);(127.05576,10.9);(131.04916,5.5);(135.00301,6.7);(139.04361,9.4);(140.06444,6.9);(141.0759,11.7);(145.02567,50.5);(151.05504,4.8);(152.05139,6.1);(153.01657,62.5);(154.02199,9.6);(155.04697,21.2);(163.0618,9.9);(168.05934,14.5);(169.03535,6.1);(170.06357,6.3);(171.05363,5.5);(196.05034,11.9);(197.06375,8.4);(198.05431,7.3);(242.05164,4.2);(269.04532,5.5);(271.05371,4.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01788,4.8);(68.9991,2.8);(91.05309,8.0);(111.00806,2.0);(119.04855,26.3);(120.05539,2.2);(121.02876,8.3);(122.03187,1.2);(125.02207,1.2);(141.0686,3.1);(145.02753,8.4);(146.03482,1.2);(153.01839,64.9);(154.01877,3.5);(155.04967,1.8);(157.06473,1.1);(163.03792,5.6);(185.06023,1.5);(187.04118,1.1);(197.06038,2.9);(202.06419,1.2);(225.05452,1.4);(229.05029,3.9);(243.05859,3.5);(271.05978,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.04874,3.0);(121.02976,1.4);(145.02841,1.1);(153.0179,9.3);(271.06049,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(271.06061,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.71095,5.8);(63.02285,10.9);(64.11269,4.8);(65.03666,7.7);(66.31146,4.4);(67.02159,17.4);(68.99498,27.1);(75.01985,7.3);(77.03595,11.4);(79.01548,4.4);(83.01498,5.1);(89.03781,12.6);(91.05396,100.0);(92.05965,9.0);(92.998,8.0);(95.05011,8.7);(97.00407,7.0);(101.04453,5.6);(102.04266,7.3);(111.01417,5.1);(115.04822,29.5);(116.05733,5.6);(117.03389,18.6);(118.06429,12.3);(119.04565,36.1);(120.05446,4.8);(121.02573,11.6);(122.0388,11.1);(123.157,4.1);(126.04858,5.1);(127.06003,6.1);(128.05759,4.8);(130.57341,5.1);(134.02959,4.4);(140.06953,11.6);(141.06636,7.0);(143.05096,6.3);(145.02412,55.0);(146.61436,4.1);(150.04802,7.5);(151.05211,6.8);(153.01524,93.7);(153.97894,6.5);(155.04532,6.5);(156.01936,8.2);(159.03989,8.5);(168.05136,8.0);(169.06337,6.1);(173.05942,10.9);(197.06036,6.8);(204.01347,7.0);(213.05074,7.3);(219.28987,5.3);(265.60141,5.3);(271.06531,16.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.00291,3.0);(83.01254,3.9);(105.0327,1.6);(107.01346,20.12);(117.03307,100.0);(118.03857,7.51);(121.02776,7.51);(122.02839,1.2);(130.04083,1.3);(131.04965,1.6);(141.03079,1.3);(149.02267,15.72);(151.00085,15.52);(152.00461,2.4);(155.04726,1.6);(156.04999,1.0);(159.04198,6.11);(169.06796,2.9);(181.06476,1.4);(182.03613,1.0);(183.04146,3.2);(185.02122,1.1);(197.06161,1.3);(199.03667,1.8);(201.06027,1.8);(225.04796,1.1);(226.06538,1.0);(227.03328,4.5);(269.03754,2.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01366,1.2);(68.99834,1.9);(91.05244,3.4);(111.00852,1.9);(119.04844,28.4);(121.03072,5.5);(141.07097,1.4);(145.02748,7.8);(153.01811,84.1);(154.01933,5.2);(163.03719,2.9);(168.05612,1.4);(169.06816,2.1);(225.06059,2.3);(229.05482,3.4);(243.07051,3.7);(244.06699,1.7);(253.05655,1.5);(271.06012,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01466,2.5);(68.99532,4.1);(91.05759,2.6);(111.00896,1.6);(119.04927,25.7);(120.05206,2.7);(121.02918,9.7);(141.06866,2.6);(145.02948,10.5);(146.034,1.3);(153.01802,72.5);(154.0235,9.1);(163.03864,6.2);(169.06508,1.1);(187.03758,2.6);(197.06128,1.2);(225.05334,2.0);(229.05077,4.0);(242.05653,1.3);(243.06377,4.0);(271.06076,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(167.04668,1.4);(180.05571,1.3);(195.04144,7.11);(211.03979,1.5);(223.04103,6.91);(224.03827,1.0);(239.03168,1.5);(251.03389,100.0);(252.03784,14.71);(253.04633,1.1);(269.04367,56.26)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03767,17.4);(66.03989,5.6);(67.01958,18.3);(68.99665,43.5);(69.53948,4.4);(75.02576,4.2);(77.03381,4.2);(79.01515,5.8);(80.02785,8.3);(81.02858,4.9);(85.01787,7.2);(91.05439,93.1);(92.05473,12.5);(93.03219,7.2);(95.01333,7.9);(97.02732,5.3);(101.04074,8.3);(105.03468,6.5);(108.02078,6.0);(111.0088,12.0);(113.0395,4.4);(115.05637,31.2);(116.05502,7.2);(117.03074,14.6);(118.04041,6.5);(119.05224,7.2);(121.02968,22.2);(124.01249,12.5);(125.0218,5.8);(127.0503,6.5);(131.04878,10.4);(132.05254,4.9);(137.01376,6.0);(139.03352,6.9);(140.0657,24.8);(141.02811,9.5);(145.02457,60.2);(146.03893,10.9);(147.03857,5.1);(150.04384,5.8);(151.04272,10.0);(152.05794,4.4);(153.01787,100.0);(154.02179,6.2);(155.04323,8.6);(163.02924,4.2);(167.04765,8.8);(168.0322,4.9);(169.0237,7.9);(172.04726,4.6);(179.0544,6.7);(187.02652,4.6);(188.04008,4.2);(213.04991,5.3);(216.05258,5.6);(237.1132,5.3);(242.0531,4.2);(247.8835,6.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(271.05988,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.04666,2.5);(153.01825,9.7);(271.06024,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.05385,1.0);(119.04874,3.0);(121.02976,1.4);(141.06689,1.0);(145.02841,1.1);(153.0179,9.31);(271.06049,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(67.01366,1.2);(68.99834,1.9);(91.05244,3.4);(111.00852,1.9);(119.04844,28.43);(121.03072,5.51);(141.07097,1.4);(145.02748,7.81);(153.01811,84.08);(154.01933,5.21);(163.03719,2.9);(168.05612,1.4);(169.06816,2.1);(203.0696,1.0);(225.06059,2.3);(229.05482,3.4);(243.07051,3.7);(244.06699,1.7);(253.05655,1.5);(271.06012,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(111.01071,1.0);(119.04666,2.5);(153.01825,9.71);(271.06024,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(149.02139,1.1);(225.05632,1.0);(269.04413,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02156,2.0);(65.00062,2.5);(81.03291,1.8);(83.01196,1.4);(93.03268,2.1);(105.03569,1.8);(107.01112,14.91);(117.03271,100.0);(118.03516,7.61);(121.02684,8.71);(149.02235,14.81);(150.99989,16.92);(155.05142,1.1);(157.06499,1.4);(158.03265,1.1);(159.04161,6.61);(169.05917,1.2);(180.0576,2.0);(183.04141,5.71);(185.02634,1.3);(199.03561,1.0);(201.05344,1.7);(224.05063,1.2);(225.04857,1.7);(227.03847,4.1);(269.04172,3.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.0476,3.7);(153.01874,7.5);(271.0585,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(64.9993,2.8);(83.01265,3.7);(105.03254,2.9);(107.01279,18.42);(108.01906,1.9);(117.03319,100.0);(118.03699,7.41);(121.03069,8.91);(129.03419,1.1);(141.03526,1.4);(149.02232,15.32);(151.00294,12.11);(152.00299,1.0);(155.04753,1.0);(159.04288,5.41);(160.04202,1.0);(168.05972,1.4);(181.06268,1.3);(183.04521,3.2);(186.03146,1.2);(196.05087,1.1);(197.06409,1.0);(201.0563,3.7);(227.03896,3.3);(269.04611,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.71095,5.81);(63.02285,10.91);(64.11269,4.8);(65.03666,7.71);(66.31146,4.4);(67.02159,17.42);(68.99498,27.13);(75.01985,7.31);(77.03595,11.41);(79.01548,4.4);(83.01498,5.11);(89.03781,12.61);(91.05396,100.0);(92.05965,9.01);(92.998,8.01);(95.05011,8.71);(97.00407,7.01);(101.04453,5.61);(102.04266,7.31);(111.01417,5.11);(115.04822,29.53);(116.05733,5.61);(117.03389,18.62);(118.06429,12.31);(119.04565,36.14);(120.05446,4.8);(121.02573,11.61);(122.0388,11.11);(123.157,4.1);(126.04858,5.11);(127.06003,6.11);(128.05759,4.8);(130.57341,5.11);(134.02959,4.4);(140.06953,11.61);(141.06636,7.01);(143.05096,6.31);(145.02412,54.95);(146.61436,4.1);(150.04802,7.51);(151.05211,6.81);(153.01524,93.69);(153.97894,6.51);(155.04532,6.51);(156.01936,8.21);(159.03989,8.51);(168.05136,8.01);(169.06337,6.11);(173.05942,10.91);(197.06036,6.81);(204.01347,7.01);(213.05074,7.31);(219.28987,5.31);(265.60141,5.31);(271.06531,16.02)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(271.05927,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(64.99902,1.9);(65.0047,2.4);(83.01196,1.8);(89.00226,2.9);(107.01084,2.1);(108.01606,1.5);(116.02933,2.0);(117.03276,100.0);(118.03589,7.4);(119.04286,2.6);(121.02372,2.7);(129.03421,2.2);(131.05806,2.1);(152.06232,1.6);(155.05066,1.6);(171.91588,2.5);(182.0345,1.6);(202.06491,2.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.0033,1.9);(89.0397,2.04);(91.0189,2.57);(105.0346,19.88);(115.0553,3.17);(131.0502,1.12);(133.0295,2.19);(139.0554,4.48);(141.0711,2.18);(143.0502,2.83);(152.0632,5.36);(153.071,12.67);(154.0425,8.56);(155.0502,2.59);(157.0658,10.75);(159.045,1.51);(161.0608,1.72);(167.0502,3.58);(168.0581,4.3);(169.0659,9.58);(171.0452,30.2);(172.0533,1.03);(173.0608,3.13);(175.0401,2.46);(179.0503,14.05);(180.0581,29.79);(181.0659,33.19);(182.0374,70.48);(183.0452,3.44);(184.0532,1.54);(185.0608,45.1);(186.0325,1.32);(187.04,1.69);(195.0451,25.32);(196.053,27.39);(197.0608,54.22);(198.0324,2.14);(199.04,7.54);(201.0558,1.89);(207.0451,7.75);(210.0322,30.88);(211.0402,1.33);(212.0481,4.76);(213.0558,25.62);(223.0402,3.59);(224.048,39.43);(225.0558,100.0);(226.0269,1.77);(227.0351,16.09);(240.0429,41.03);(241.0507,44.94);(256.0378,4.65);(268.0377,1.25);(269.0456,16.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(105.0345,1.51);(153.071,2.89);(169.0658,2.77);(171.0452,2.47);(179.0502,1.88);(180.0581,7.74);(181.0659,15.89);(182.0373,9.07);(185.0608,5.15);(195.045,1.75);(196.053,3.26);(197.0607,19.61);(199.04,1.03);(207.0452,2.95);(210.0322,12.61);(213.0556,6.98);(224.048,9.81);(225.0557,100.0);(227.0349,8.28);(240.0428,5.73);(241.0506,37.06);(269.0455,54.89)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.00291,3.0);(83.01254,3.9);(105.0327,1.6);(107.01346,20.1);(117.03307,100.0);(118.03857,7.5);(121.02776,7.5);(122.02839,1.2);(130.04083,1.3);(131.04965,1.6);(141.03079,1.3);(149.02267,15.7);(151.00085,15.5);(152.00461,2.4);(155.04726,1.6);(159.04198,6.1);(169.06796,2.9);(181.06476,1.4);(183.04146,3.2);(185.02122,1.1);(197.06161,1.3);(199.03667,1.8);(201.06027,1.8);(225.04796,1.1);(227.03328,4.5);(269.03754,2.2)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.024,2.95);(65.0033,9.32);(77.0397,3.19);(89.0397,6.91);(91.019,5.12);(103.0552,1.08);(105.0346,43.11);(113.0397,2.48);(115.0553,16.66);(117.0347,1.94);(127.0553,3.55);(129.071,1.41);(130.0425,1.73);(131.0503,5.21);(133.0659,5.1);(139.0553,9.95);(141.0711,3.65);(143.0503,9.14);(151.0552,1.68);(152.0632,7.21);(153.071,10.26);(154.0425,22.0);(155.0503,5.03);(156.058,1.0);(157.0659,23.36);(158.0372,1.67);(159.0451,5.2);(161.0609,5.02);(167.0502,12.07);(168.0581,8.45);(169.066,7.44);(170.0372,1.38);(171.0452,49.63);(172.0529,1.94);(173.0609,5.05);(175.04,5.33);(178.0424,3.64);(179.0503,15.63);(180.0581,20.37);(181.066,11.3);(182.0374,100.0);(183.045,5.86);(184.053,5.86);(185.0608,67.79);(187.0403,3.58);(195.0451,75.02);(196.0529,34.61);(197.0608,26.51);(198.0323,4.91);(199.0401,8.58);(201.0554,1.28);(207.0452,3.52);(210.0323,13.26);(211.0401,4.59);(212.048,10.0);(213.0557,17.13);(223.0402,5.97);(224.0479,32.3);(225.0558,18.01);(226.0269,2.03);(227.035,5.92);(240.0428,50.75);(241.0508,13.58);(256.0376,3.75)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0125,4.4);(117.03235,14.3);(118.03487,2.1);(121.0263,1.7);(149.02255,8.4);(151.00212,9.1);(159.04242,3.0);(181.06364,1.2);(183.04341,3.1);(201.05261,1.2);(224.04721,1.2);(225.05214,3.7);(227.03088,1.8);(269.04379,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(149.02139,1.1);(269.04413,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(181.066,2.01);(197.0608,2.35);(210.0324,1.27);(225.0558,34.79);(227.035,1.28);(241.0507,10.27);(269.0456,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.01218,3.1);(117.03324,18.5);(118.03693,1.6);(149.02249,6.4);(151.00215,8.6);(159.04427,2.3);(181.06226,1.3);(183.04214,1.1);(225.05357,3.0);(269.04346,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(225.0557,1.93);(269.0455,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.01327,4.3);(117.03353,17.4);(118.03468,1.4);(121.02924,1.4);(149.02309,7.1);(151.00229,10.3);(159.04303,1.4);(201.05232,2.8);(225.05453,3.4);(227.03653,1.3);(269.04419,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(63.02156,2.0);(65.00062,2.5);(81.03291,1.8);(83.01196,1.4);(93.03268,2.1);(105.03569,1.8);(107.01112,14.9);(117.03271,100.0);(118.03516,7.6);(121.02684,8.7);(149.02235,14.8);(150.99989,16.9);(155.05142,1.1);(157.06499,1.4);(158.03265,1.1);(159.04161,6.6);(169.05917,1.2);(180.0576,2.0);(183.04141,5.7);(185.02634,1.3);(201.05344,1.7);(224.05063,1.2);(225.04857,1.7);(227.03847,4.1);(269.04172,3.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(167.04668,1.36);(180.05571,1.34);(195.04144,7.09);(211.03979,1.46);(223.04103,6.87);(239.03168,1.52);(251.03389,100.0);(252.03784,14.7);(253.04633,1.14);(269.04367,56.25)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(269.0454,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(89.04153,2.4);(90.03954,1.5);(116.0224,1.8);(117.03304,100.0);(118.03599,8.1);(129.02776,1.8);(141.0256,2.1);(158.036,3.4);(195.04552,1.7);(200.00464,1.6)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(269.04352,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(31.01838972,0.0218578282);(41.03912516,0.1045867747);(43.01838972,0.0261813961);(55.01838972,0.0709383756);(57.03403978,0.0590426236);(67.01838972,0.0285153586);(69.03403978,0.0096291514);(80.99765427,0.0299916535);(83.01330434,0.0382140326);(95.04968984,0.2043380919);(97.0289544,0.0259269708);(105.0340398,0.0137575219);(121.0289544,1.211578587);(123.0446045,1.424794093);(149.023869,0.4258691203);(151.0395191,0.1544706771);(175.0395191,0.0107189803);(177.0187836,0.0871355612);(203.0344337,0.0299618414);(205.0500838,0.0096360979);(215.0344337,0.0290422953);(217.0500838,0.1235161067);(227.0344337,0.0993054635);(229.0500838,0.1156824277);(231.0293483,0.0529394749);(241.0500838,1.364767691);(243.0293483,0.0410221936);(245.0449984,0.0924809061);(253.0500838,15.83875085);(255.0293483,0.2259614725);(271.0606485,78.02938638)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,0.4468401165);(51.0234751,0.1138839148);(55.01838972,0.180841958);(57.03403978,0.2430981617);(67.01838972,0.4291181071);(79.01838972,0.1840472468);(80.99765427,0.2762385671);(83.01330434,0.1169387497);(91.01838972,0.2553219657);(93.03403978,0.1220726689);(95.04968984,0.7528485568);(97.0289544,0.2593169025);(121.0289544,16.36665471);(123.0446045,3.190160122);(149.023869,9.177433402);(151.0395191,10.52466396);(177.0187836,0.8530598852);(189.0551691,0.1880570109);(191.0708192,0.1766675462);(203.0344337,0.3291444547);(211.0395191,0.2013158499);(217.0500838,0.5357294334);(227.0344337,0.7705352342);(229.0500838,1.090576613);(231.0293483,0.1171984919);(241.0500838,8.197772002);(243.0293483,0.1972567722);(245.0449984,0.3553182477);(253.0500838,14.21915164);(255.0293483,0.6306909936);(271.0606485,29.49804672)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03912516,1.894764061);(43.01838972,1.106956203);(51.0234751,2.964041185);(53.03912516,1.162608625);(55.01838972,1.434141076);(65.03912516,2.012285726);(67.01838972,3.820485137);(79.01838972,2.443529847);(80.99765427,1.676766183);(81.03403978,1.846935989);(83.01330434,1.582903373);(91.01838972,1.266690007);(93.03403978,1.697430829);(95.04968984,1.01130496);(105.0340398,4.289566945);(107.0133043,1.30746697);(121.0289544,19.43913923);(123.0446045,3.005719987);(149.023869,5.459998167);(151.0395191,1.355249136);(177.0187836,1.107685545);(187.0395191,1.124927213);(199.0395191,1.315113826);(211.0395191,6.023370746);(217.0500838,0.909604656);(227.0344337,1.488340288);(229.0500838,1.151970248);(241.0500838,2.956567627);(253.0500838,20.76133101);(255.0293483,1.600759472);(271.0606485,0.7823457298)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(29.00273965,0.1529849518);(39.0234751,0.0166372408);(41.00273965,0.0389902729);(43.01838972,0.0068300255);(55.01838972,0.0178512703);(65.00273965,0.0091764732);(67.01838972,0.035342479);(91.01838972,0.0902997441);(93.03403978,0.1967404904);(95.01330434,0.008740687);(119.0133043,0.088439224);(121.0289544,0.745161498);(147.008219,0.0636365272);(149.023869,0.007514743);(173.023869,0.0262459822);(175.0031336,0.0137515083);(187.0395191,0.0038641171);(197.023869,0.0369586593);(201.0187836,0.0288664616);(203.0344337,0.0232183409);(213.0187836,0.0198589202);(215.0344337,0.0264577134);(225.0187836,0.0706638457);(227.0344337,0.2230587237);(229.0136983,0.0297932489);(239.0344337,13.2479545);(241.0136983,0.0061666303);(243.0293483,0.1232865492);(251.0344337,4.156921564);(253.0136983,0.3222689131);(269.0449984,80.1623187)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(29.00273965,0.2173629307);(39.0234751,0.023902984);(41.00273965,0.1045874563);(43.01838972,0.0364528555);(53.00273965,0.0251174043);(55.01838972,0.0386508259);(65.00273965,0.0154819972);(67.01838972,0.0273921732);(91.01838972,0.5449067924);(93.03403978,0.3020713389);(119.0133043,0.3815580689);(121.0289544,1.550137417);(147.008219,0.1863711716);(149.023869,0.2373935692);(173.023869,0.0684183029);(175.0031336,0.0217372543);(187.0395191,0.0130986832);(197.023869,0.721679509);(201.0187836,0.0668076509);(203.0344337,0.035508606);(213.0187836,0.1167707346);(215.0344337,0.2105184316);(225.0187836,0.4602295192);(227.0344337,0.8334182951);(229.0136983,0.0378422037);(239.0344337,38.42398803);(241.0136983,0.0735703591);(243.0293483,0.1837871473);(251.0344337,4.614445959);(253.0136983,1.026445991);(269.0449984,49.40034633)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(29.00273965,0.5735893655);(41.00273965,10.02152827);(43.01838972,0.600168098);(55.01838972,0.4680166393);(63.0234751,0.4966348778);(65.00273965,1.119327241);(67.01838972,0.7182016556);(77.00273965,0.4462500559);(79.01838972,0.3638524967);(80.99765427,0.6597759312);(91.01838972,11.78362329);(93.03403978,1.418973322);(95.01330434,0.4493267833);(104.9976543,0.7292485429);(119.0133043,7.122088377);(121.0289544,2.998659506);(145.0289544,0.805440179);(147.008219,7.030479948);(149.023869,3.892442069);(173.023869,1.336749311);(175.0031336,1.370589825);(197.023869,1.791086648);(213.0187836,1.780903823);(215.0344337,1.570836455);(225.0187836,1.301332063);(227.0344337,0.9384206294);(239.0344337,28.65575184);(241.0136983,0.5099321916);(243.0293483,0.6751804045);(251.0344337,5.484385654);(269.0449984,2.887204504)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(253.04954,66.02);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(121.02841,6.31);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(253.04954,35.48);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0);(271.0601,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(41.03858,12.17);(93.03349,15.83);(93.03349,15.83);(107.01276,15.68);(107.01276,15.68);(107.01276,15.68);(107.04914,12.58);(109.02841,14.66);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(121.02841,100.0);(123.04406,40.03);(123.04406,40.03);(123.04406,40.03);(123.04406,40.03);(123.04406,40.03);(125.05971,15.28);(133.02841,80.87);(133.02841,80.87);(133.02841,80.87);(133.02841,80.87);(147.00767,12.11);(147.00767,12.11);(147.00767,12.11);(147.00767,12.11);(147.00767,12.11);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(149.02332,57.91);(151.03897,61.96);(151.03897,61.96);(151.03897,61.96);(151.03897,61.96);(151.03897,61.96);(151.03897,61.96);(175.03897,18.8);(175.03897,18.8);(187.03897,54.39);(187.03897,54.39);(187.03897,54.39);(187.03897,54.39);(187.03897,54.39);(187.03897,54.39);(201.01824,18.72);(201.01824,18.72);(211.03897,19.46);(211.03897,19.46);(211.03897,19.46);(211.03897,19.46);(215.03389,14.98);(215.03389,14.98);(215.03389,14.98);(215.03389,14.98);(215.03389,14.98);(217.04954,20.65);(217.04954,20.65);(217.04954,20.65);(217.04954,20.65);(217.04954,20.65);(225.05462,37.08);(225.05462,37.08);(225.05462,37.08);(229.04954,13.25);(229.04954,13.25);(229.04954,13.25);(229.04954,13.25);(235.03897,14.53);(235.03897,14.53);(241.04954,47.63);(241.04954,47.63);(241.04954,47.63);(241.04954,47.63);(241.04954,47.63);(241.04954,47.63);(241.04954,47.63);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(243.06519,22.22);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(253.04954,64.83);(269.04445,55.15);(269.04445,55.15);(269.04445,55.15);(269.04445,55.15);(269.04445,55.15);(269.04445,55.15);(269.04445,55.15)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(225.01933,5.92);(239.03498,14.77);(239.03498,14.77);(239.03498,14.77);(239.03498,14.77);(239.03498,14.77);(239.03498,14.77);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(241.05063,13.61);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0);(269.04555,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(93.03459,11.76);(119.01385,34.21);(121.0295,16.19);(121.0295,16.19);(121.0295,16.19);(121.0295,16.19);(173.02442,19.56);(173.02442,19.56);(197.02442,45.8);(197.02442,45.8);(197.02442,45.8);(197.02442,45.8);(197.02442,45.8);(211.04007,100.0);(223.04007,19.39);(223.04007,19.39);(223.04007,19.39);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(225.01933,16.72);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(227.03498,17.45);(239.03498,53.34);(239.03498,53.34);(239.03498,53.34);(239.03498,53.34);(239.03498,53.34);(239.03498,53.34);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77);(241.05063,18.77)

Food Sources

	Name	Group
	rhubarb	Vegetables, Other vegetables	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Aloe-emodin