precursor

Showing entry for Syringaresinol

Identification

PhytoHub ID
PHUB001737
Name
Syringaresinol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
418.442
Monoisotopic Mass
418.162767797
Chemical Formula
C22H26O8
IUPAC Name
4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenol
InChI Key
KOWMJRJXZMEZLD-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3
SMILES
COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(O)C(OC)=C1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
4.79e-02 g/l
LogS (ALOGPS)
-3.94
LogP (ALOGPS)
2.23
Hydrogen Acceptors
8
Hydrogen Donors
2
Rotatable Bond Count
6
Polar Surface Area
95.84000000000002
Refractivity
108.02659999999999
Polarizability
43.448836150602126
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-3.7414184111188975
pKa (strongest acidic)
9.001968892253409
Number of Rings
4
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
Yes

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Lignans
Sub-class
Not Available

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(51.798,0.039);(54.658,0.043);(57.652,0.043);(58.711,0.041);(59.635,0.041);(64.171,0.047);(65.28,0.045);(72.081,0.039);(72.905,0.046);(72.971,0.045);(77.862,0.046);(78.236,0.041);(79.402,0.041);(80.7,0.041);(81.815,0.039);(85.826,0.04);(96.055,0.044);(96.793,0.039);(98.641,0.044);(100.679,0.039);(102.32,0.043);(105.974,0.042);(106.918,0.046);(110.386,0.041);(110.74,0.041);(113.345,0.039);(114.559,0.046);(116.735,0.039);(116.783,0.05);(117.738,0.043);(118.264,0.045);(120.686,0.041);(121.316,0.039);(123.112,0.043);(123.52,0.043);(123.687,0.039);(125.727,0.04);(126.2,0.039);(126.812,0.048);(129.026,0.052);(130.611,0.04);(137.036,0.045);(137.348,0.044);(139.95,0.039);(140.427,0.041);(140.47,0.045);(141.719,0.042);(142.71,0.04);(142.987,0.04);(145.095,0.043);(145.337,0.058);(148.299,0.042);(149.594,0.04);(150.084,0.044);(150.617,0.043);(151.113,0.041);(152.001,0.05);(152.045,0.062);(152.057,0.046);(153.039,0.042);(156.784,0.04);(159.403,0.039);(160.207,0.043);(162.201,0.042);(162.68,0.039);(163.038,0.048);(164.888,0.045);(165.552,0.041);(166.028,0.162);(167.024,0.04);(168.195,0.04);(168.649,0.04);(170.976,0.042);(172.421,0.04);(174.874,0.042);(175.066,0.052);(176.894,0.046);(179.639,0.048);(180.282,0.066);(181.045,0.497);(181.059,0.08);(181.08,0.051);(181.105,0.043);(181.123,0.093);(181.63,0.046);(181.751,0.039);(181.83,0.049);(182.72,0.058);(182.934,0.043);(182.95,0.07);(183.123,0.042);(183.798,0.046);(183.848,0.044);(185.925,0.044);(188.994,0.04);(190.054,0.046);(190.099,0.044);(191.955,0.04);(192.899,0.044);(193.903,0.051);(194.399,0.039);(194.598,0.046);(195.235,0.04);(195.658,0.04);(195.931,0.047);(196.46,0.056);(196.557,0.044);(199.054,0.047);(200.962,0.044);(201.225,0.056);(201.454,0.043);(203.426,0.042);(203.949,0.039);(204.618,0.041);(204.864,0.043);(205.263,0.039);(206.225,0.041);(206.678,0.047);(206.716,0.052);(207.598,0.043);(209.23,0.041);(209.416,0.047);(210.524,0.041);(211.418,0.044);(211.457,0.04);(211.498,0.04);(212.102,0.041);(213.2,0.045);(214.293,0.039);(214.341,0.039);(215.171,0.044);(215.574,0.048);(215.973,0.045);(216.988,0.042);(218.338,0.046);(218.822,0.042);(219.056,0.04);(219.906,0.041);(220.866,0.039);(221.388,0.048);(221.618,0.041);(222.081,0.04);(222.144,0.043);(222.827,0.041);(223.266,0.042);(223.623,0.04);(224.242,0.042);(225.099,0.056);(230.768,0.041);(232.172,0.045);(233.553,0.048);(233.897,0.041);(234.091,0.038);(234.699,0.045);(234.788,0.043);(235.474,0.038);(235.767,0.057);(235.924,0.049);(238.946,0.043);(239.532,0.04);(239.729,0.041);(241.214,0.042);(241.244,0.04);(241.528,0.046);(242.004,0.038);(242.034,0.043);(242.506,0.038);(243.178,0.039);(243.41,0.039);(243.881,0.05);(244.736,0.046);(244.851,0.038);(245.635,0.04);(246.456,0.041);(247.655,0.04);(247.891,0.04);(248.376,0.039);(249.562,0.038);(250.262,0.045);(251.341,0.041);(251.833,0.042);(252.378,0.048);(252.768,0.044);(252.82,0.054);(253.533,0.039);(253.579,0.05);(253.732,0.04);(253.837,0.043);(254.175,0.051);(254.51,0.053);(255.008,0.05);(255.327,0.048);(255.431,0.04);(255.639,0.043);(257.256,0.061);(257.608,0.048);(257.891,0.042);(258.887,0.043);(259.569,0.05);(261.967,0.041);(263.92,0.038);(264.038,0.055);(264.833,0.039);(265.044,0.048);(266.075,0.044);(266.4,0.045);(266.85,0.039);(266.894,0.04);(266.933,0.047);(267.637,0.041);(270.668,0.048);(270.815,0.07);(271.528,0.048);(271.697,0.042);(273.653,0.047);(273.725,0.039);(274.566,0.044);(274.688,0.047);(275.098,0.042);(275.602,0.051);(276.156,0.042);(276.459,0.038);(276.592,0.038);(276.763,0.041);(277.876,0.055);(278.134,0.05);(279.978,0.038);(280.158,0.056);(281.373,0.05);(281.605,0.04);(281.683,0.056);(281.853,0.04);(281.975,0.042);(283.272,0.041);(283.49,0.053);(283.85,0.057);(283.908,0.043);(285.14,0.039);(285.483,0.041);(285.537,0.049);(288.63,0.046);(288.844,0.075);(289.628,0.04);(289.929,0.041);(290.854,0.041);(291.361,0.055);(292.543,0.04);(292.694,0.051);(292.87,0.044);(293.862,0.053);(294.167,0.051);(294.845,0.04);(294.888,0.047);(294.939,0.041);(297.492,0.045);(297.758,0.041);(299.006,0.052);(299.347,0.054);(300.111,0.039);(301.677,0.039);(302.182,0.053);(302.884,0.043);(303.554,0.04);(304.026,0.045);(304.06,0.041);(304.375,0.042);(304.896,0.042);(306.431,0.046);(308.674,0.041);(309.166,0.039);(309.35,0.043);(309.571,0.04);(311.594,0.039);(311.818,0.046);(312.537,0.039);(312.638,0.04);(313.704,0.039);(313.778,0.047);(313.981,0.04);(315.811,0.039);(316.855,0.039);(317.01,0.04);(317.069,0.047);(317.168,0.039);(317.91,0.041);(318.949,0.065);(319.997,0.043);(320.979,0.054);(322.192,0.042);(322.414,0.042);(323.923,0.046);(324.012,0.041);(324.054,0.052);(324.934,0.06);(325.819,0.042);(325.884,0.044);(326.63,0.044);(327.06,0.048);(327.471,0.042);(327.654,0.042);(328.55,0.044);(328.655,0.047);(329.087,0.049);(330.848,0.05);(332.432,0.042);(332.782,0.059);(333.407,0.04);(334.102,0.047);(334.166,0.054);(335.063,0.04);(335.828,0.042);(335.941,0.043);(336.248,0.04);(336.611,0.054);(336.702,0.044);(336.857,0.041);(337.877,0.051);(338.763,0.043);(340.736,0.041);(341.294,0.043);(341.613,0.048);(342.04,0.041);(342.472,0.04);(342.636,0.043);(342.793,0.055);(343.875,0.05);(344.259,0.04);(344.326,0.042);(344.592,0.04);(344.964,0.043);(346.108,0.048);(346.666,0.042);(347.692,0.056);(348.606,0.051);(348.705,0.056);(348.773,0.039);(348.83,0.053);(349.6,0.06);(349.839,0.039);(349.926,0.041);(349.959,0.074);(350.162,0.049);(350.302,0.056);(350.736,0.04);(350.862,0.046);(351.55,0.064);(352.188,0.046);(353.826,0.042);(355.237,0.039);(356.24,0.039);(356.556,0.045);(356.785,0.045);(357.054,0.043);(357.093,0.049);(357.16,0.046);(357.228,0.052);(357.57,0.054);(358.425,0.053);(358.822,0.043);(358.961,0.04);(358.987,0.063);(359.589,0.047);(359.795,0.041);(360.152,0.041);(360.45,0.048);(361.299,0.048);(361.673,0.046);(362.746,0.048);(363.397,0.051);(363.93,0.044);(364.129,0.044);(364.584,0.04);(365.623,0.059);(365.844,0.049);(366.31,0.039);(367.53,0.05);(368.677,0.039);(368.723,0.054);(369.563,0.064);(370.242,0.043);(370.625,0.051);(370.756,0.046);(370.87,0.041);(370.921,0.048);(370.947,0.054);(371.165,0.039);(371.556,0.041);(372.098,0.039);(372.157,0.043);(372.259,0.042);(372.301,0.041);(372.779,0.084);(372.811,0.059);(372.928,0.039);(373.076,0.081);(373.16,0.066);(373.794,0.045);(374.502,0.058);(374.907,0.057);(375.155,0.04);(375.252,0.048);(375.411,0.053);(375.536,0.05);(376.208,0.043);(376.4,0.04);(376.523,0.054);(376.985,0.043);(377.054,0.048);(377.092,0.04);(377.243,0.038);(377.402,0.039);(377.552,0.039);(378.15,0.051);(378.824,0.042);(379.043,0.039);(379.578,0.038);(379.879,0.05);(381.05,0.041);(381.845,0.039);(381.959,0.039);(382.393,0.044);(382.517,0.044);(383.128,0.047);(383.393,0.055);(384.629,0.053);(384.87,0.04);(384.974,0.039);(385.077,0.06);(385.372,0.039);(385.432,0.048);(385.848,0.049);(387.032,0.041);(387.09,0.11);(387.122,0.085);(387.195,0.049);(387.831,0.047);(387.875,0.042);(388.09,0.053);(388.876,0.042);(389.103,0.041);(390.277,0.051);(392.546,0.04);(392.685,0.046);(393.238,0.046);(393.584,0.041);(394.115,0.049);(395.622,0.04);(395.758,0.04);(396.052,0.044);(396.284,0.051);(397.336,0.039);(397.633,0.049);(398.72,0.041);(398.766,0.04);(398.816,0.049);(399.096,0.047);(399.354,0.048);(399.887,0.044);(400.363,0.041);(400.803,0.045);(400.965,0.044);(401.925,0.048);(402.029,0.05);(402.108,0.051);(402.14,0.178);(402.197,0.044);(402.641,0.047);(403.112,0.045);(403.54,0.04);(404.016,0.048);(404.107,0.039);(404.662,0.042);(405.555,0.039);(406.776,0.043);(409.008,0.051);(409.88,0.051);(410.79,0.04);(411.675,0.051);(411.805,0.049);(412.504,0.04);(413.441,0.041);(413.512,0.046);(413.592,0.058);(414.083,0.041);(414.795,0.041);(415.013,0.04);(415.563,0.042);(415.638,0.045);(415.736,0.042);(416.189,0.046);(416.597,0.049);(416.954,0.043);(416.998,0.067);(417.092,0.057);(417.119,0.198);(417.146,1.0);(417.17,0.042);(417.196,0.236)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(53.019,0.084);(53.279,0.072);(53.849,0.079);(55.049,0.085);(55.847,0.116);(58.312,0.096);(60.757,0.079);(66.124,0.075);(67.02,0.102);(67.507,0.073);(71.898,0.077);(75.094,0.1);(79.247,0.075);(80.305,0.093);(81.388,0.077);(83.463,0.074);(83.599,0.179);(85.595,0.089);(91.265,0.079);(94.281,0.108);(94.791,0.077);(95.707,0.074);(99.904,0.074);(100.766,0.076);(102.543,0.077);(107.858,0.078);(107.87,0.079);(109.124,0.074);(113.846,0.1);(114.932,0.089);(119.365,0.092);(120.654,0.076);(121.183,0.082);(121.423,0.094);(122.222,0.075);(122.268,0.115);(122.997,0.09);(123.02,0.087);(127.997,0.074);(128.724,0.096);(129.066,0.127);(129.364,0.073);(129.564,0.085);(131.301,0.107);(131.416,0.074);(131.499,0.114);(132.886,0.075);(133.447,0.08);(134.879,0.087);(135.163,0.074);(135.888,0.076);(139.054,0.078);(139.632,0.077);(139.982,0.076);(141.792,0.086);(144.238,0.113);(144.698,0.082);(144.975,0.081);(145.872,0.078);(147.14,0.101);(149.54,0.073);(151.219,0.087);(152.465,0.08);(152.608,0.124);(152.636,0.09);(152.786,0.072);(153.119,0.086);(153.628,0.089);(156.323,0.073);(158.748,0.073);(161.029,0.148);(161.445,0.105);(162.022,0.093);(162.961,0.074);(164.477,0.097);(164.786,0.073);(165.572,0.073);(166.018,0.237);(166.029,0.791);(166.046,0.078);(166.077,0.19);(166.324,0.089);(167.027,0.09);(167.068,0.079);(167.503,0.075);(170.756,0.076);(172.706,0.073);(172.866,0.076);(173.402,0.074);(174.843,0.075);(174.906,0.075);(175.182,0.078);(175.373,0.081);(175.902,0.076);(177.05,0.113);(177.202,0.114);(177.274,0.084);(180.045,0.08);(180.366,0.081);(180.802,0.084);(181.044,0.917);(181.054,0.174);(181.065,0.182);(181.08,0.144);(181.112,0.077);(181.135,0.093);(181.191,0.076);(181.305,0.075);(181.64,0.076);(181.871,0.103);(182.494,0.086);(182.523,0.093);(182.58,0.144);(182.648,0.101);(182.919,0.076);(186.625,0.079);(186.866,0.089);(187.576,0.095);(188.35,0.079);(188.931,0.073);(190.224,0.205);(190.407,0.073);(191.026,0.137);(191.244,0.078);(192.007,0.078);(192.182,0.078);(192.353,0.117);(192.421,0.089);(193.039,0.089);(193.905,0.113);(194.687,0.084);(195.41,0.079);(195.687,0.074);(198.068,0.073);(198.44,0.076);(198.741,0.096);(198.801,0.112);(199.065,0.089);(200.008,0.113);(200.54,0.083);(202.533,0.106);(202.747,0.087);(203.56,0.099);(204.032,0.1);(205.747,0.084);(206.832,0.086);(206.893,0.094);(207.06,0.098);(208.186,0.095);(208.237,0.089);(209.761,0.085);(210.581,0.079);(213.671,0.081);(214.663,0.087);(215.811,0.114);(215.884,0.086);(216.674,0.075);(216.763,0.083);(217.532,0.081);(217.854,0.082);(219.122,0.088);(219.757,0.081);(220.412,0.091);(223.3,0.086);(224.071,0.118);(225.036,0.099);(227.176,0.075);(228.209,0.074);(228.398,0.083);(228.492,0.083);(228.649,0.084);(228.986,0.081);(229.038,0.081);(231.486,0.091);(232.309,0.11);(232.757,0.079);(232.828,0.086);(234.941,0.077);(235.007,0.073);(236.681,0.085);(237.427,0.074);(237.523,0.075);(238.032,0.078);(238.174,0.091);(238.27,0.087);(238.747,0.083);(239.097,0.08);(240.224,0.08);(240.789,0.073);(241.326,0.081);(241.952,0.081);(242.357,0.073);(242.585,0.098);(242.772,0.106);(243.837,0.092);(244.675,0.079);(244.923,0.074);(245.954,0.104);(246.813,0.082);(247.027,0.092);(247.067,0.12);(248.563,0.08);(248.79,0.083);(249.235,0.093);(249.32,0.082);(249.796,0.083);(250.146,0.083);(250.363,0.075);(250.389,0.084);(250.839,0.075);(254.134,0.085);(254.433,0.08);(255.264,0.087);(256.259,0.079);(256.701,0.074);(256.885,0.074);(257.535,0.075);(257.947,0.086);(257.972,0.109);(258.183,0.076);(258.75,0.075);(258.928,0.074);(259.209,0.128);(261.444,0.091);(262.586,0.075);(263.954,0.085);(264.049,0.097);(264.714,0.078);(264.862,0.075);(267.118,0.088);(268.328,0.081);(268.39,0.096);(269.012,0.086);(269.333,0.102);(269.487,0.08);(270.231,0.128);(270.494,0.074);(270.809,0.141);(271.257,0.085);(271.897,0.073);(272.469,0.077);(275.716,0.075);(276.309,0.083);(277.873,0.073);(279.821,0.074);(280.597,0.088);(280.936,0.108);(281.693,0.093);(282.718,0.092);(282.868,0.083);(283.012,0.096);(283.212,0.078);(284.05,0.081);(286.09,0.089);(286.515,0.075);(286.874,0.099);(286.985,0.081);(287.466,0.096);(287.55,0.073);(288.736,0.08);(291.025,0.142);(291.726,0.08);(292.385,0.074);(292.733,0.082);(292.908,0.084);(293.615,0.083);(294.352,0.111);(294.51,0.088);(295.008,0.116);(295.152,0.08);(295.179,0.091);(295.241,0.073);(295.39,0.099);(295.931,0.075);(296.215,0.073);(296.249,0.163);(296.481,0.073);(297.639,0.081);(297.926,0.075);(298.127,0.106);(298.898,0.075);(298.991,0.091);(300.65,0.074);(301.038,0.098);(301.484,0.074);(302.916,0.111);(303.488,0.084);(303.564,0.104);(304.28,0.081);(306.113,0.078);(306.332,0.074);(309.892,0.079);(310.255,0.078);(310.336,0.083);(310.601,0.083);(311.278,0.108);(311.643,0.079);(312.084,0.076);(312.406,0.076);(313.959,0.087);(314.304,0.081);(314.413,0.082);(314.731,0.101);(314.986,0.095);(315.737,0.075);(317.108,0.079);(318.258,0.076);(318.793,0.076);(319.983,0.078);(320.402,0.076);(320.718,0.084);(322.098,0.076);(322.144,0.072);(322.782,0.081);(322.97,0.095);(323.196,0.074);(324.934,0.0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LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(79.025,0.014);(85.101,0.013);(149.024,0.012);(167.068,0.19);(167.075,0.022);(168.064,0.012);(168.074,0.031);(169.073,0.017);(169.082,0.01);(173.057,0.042);(180.073,0.013);(181.05,0.03);(182.055,0.016);(190.055,0.011);(193.079,0.012);(205.085,0.225);(210.087,0.012);(211.09,0.011);(217.084,0.066);(219.095,0.011);(233.078,0.018);(234.081,0.013);(235.095,0.104);(237.102,0.017);(247.098,0.037);(265.105,0.091);(307.099,0.012);(315.079,0.014);(322.879,0.013);(323.128,0.018);(330.11,0.282);(330.199,0.018);(331.115,0.018);(339.118,0.024);(340.869,0.013);(340.897,0.015);(340.942,0.011);(340.999,0.013);(341.136,0.011);(343.115,0.019);(351.118,0.038);(369.126,0.045);(369.156,0.015);(371.114,0.029);(373.146,0.018);(383.146,0.129);(387.121,0.017);(388.129,0.011);(388.152,0.016);(389.138,0.03);(389.149,0.084);(401.156,0.185);(418.167,0.013);(418.97,0.011);(419.16,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView 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LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(52.024,0.011);(55.018,0.033);(61.008,0.011);(61.012,0.012);(62.024,0.015);(65.035,0.014);(65.039,0.032);(67.054,0.01);(68.057,0.012);(77.037,0.027);(77.044,0.021);(77.093,0.012);(78.041,0.01);(78.046,0.026);(78.052,0.017);(79.051,0.056);(79.056,0.056);(80.049,0.017);(81.033,0.099);(81.07,0.012);(81.073,0.01);(82.039,0.024);(82.045,0.01);(82.065,0.02);(86.035,0.013);(91.051,0.023);(91.055,0.012);(93.032,0.023);(94.044,0.016);(95.045,0.012);(95.052,0.014);(96.05,0.011);(102.048,0.015);(103.051,0.011);(105.064,0.024);(105.069,0.027);(105.08,0.012);(106.04,0.021);(106.047,0.024);(107.042,0.027);(107.048,0.133);(107.078,0.015);(107.142,0.01);(108.047,0.015);(109.067,0.011);(110.036,0.011);(115.05,0.062);(115.054,0.09);(115.063,0.012);(115.081,0.011);(115.125,0.01);(116.058,0.058);(117.063,0.027);(117.071,0.115);(118.07,0.037);(118.077,0.016);(119.077,0.017);(120.049,0.01);(122.033,0.023);(122.044,0.011);(123.002,0.011);(123.042,0.096);(123.052,0.034);(124.038,0.013);(124.051,0.06);(125.025,0.01);(125.047,0.019);(125.056,0.015);(125.096,0.011);(127.0,0.011);(127.046,0.028);(127.053,0.114);(127.06,0.018);(127.065,0.02);(128.057,0.082);(128.103,0.013);(128.869,0.012);(129.057,0.03);(129.063,0.044);(131.041,0.014);(131.086,0.029);(131.092,0.016);(133.019,0.012);(133.065,0.053);(133.076,0.012);(134.952,0.021);(135.942,0.01);(136.072,0.012);(136.931,0.012);(137.06,0.049);(138.035,0.031);(139.036,0.015);(141.07,0.028);(143.044,0.027);(143.084,0.015);(144.049,0.024);(144.055,0.024);(145.062,0.237);(145.073,0.018);(145.106,0.011);(145.119,0.016);(145.171,0.012);(146.062,0.039);(147.07,0.049);(149.024,0.029);(150.072,0.01);(151.03,0.016);(151.039,0.013);(152.044,0.036);(153.056,0.075);(154.051,0.018);(154.058,0.044);(154.863,0.022);(155.045,0.017);(155.053,0.025);(155.064,0.013);(156.052,0.05);(156.064,0.017);(156.876,0.013);(156.884,0.013);(157.059,0.024);(158.066,0.017);(159.032,0.014);(159.046,0.013);(159.069,0.015);(159.078,0.048);(159.089,0.018);(159.116,0.013);(161.049,0.011);(161.06,0.034);(162.064,0.017);(163.038,0.015);(164.053,0.01);(165.056,0.016);(166.058,0.025);(167.069,1.0);(167.09,0.014);(167.121,0.015);(167.128,0.018);(167.157,0.026);(167.171,0.013);(167.184,0.021);(167.213,0.013);(167.264,0.012);(167.316,0.014);(167.59,0.013);(168.07,0.444);(168.077,0.146);(168.112,0.014);(168.148,0.011);(168.19,0.019);(168.199,0.012);(168.244,0.013);(168.506,0.014);(169.072,0.281);(169.082,0.046);(169.132,0.015);(169.18,0.013);(169.196,0.012);(169.223,0.011);(169.634,0.011);(171.028,0.013);(171.04,0.025);(172.047,0.018);(173.053,0.041);(173.059,0.187);(173.094,0.012);(173.136,0.014);(174.058,0.029);(174.067,0.058);(174.887,0.012);(175.06,0.054);(177.047,0.024);(178.07,0.01);(178.861,0.01);(179.072,0.01);(181.045,0.108);(181.052,0.081);(181.068,0.02);(181.083,0.015);(181.116,0.012);(181.364,0.011);(182.048,0.048);(182.06,0.014);(182.07,0.012);(183.048,0.036);(183.059,0.048);(183.078,0.029);(184.044,0.013);(184.05,0.018);(184.064,0.011);(184.108,0.013);(186.065,0.01);(187.067,0.039);(189.055,0.019);(190.052,0.011);(190.061,0.131);(190.139,0.012);(191.063,0.012);(191.08,0.018);(194.989,0.012);(195.073,0.01);(196.988,0.012);(198.836,0.01);(199.921,0.014);(199.96,0.012);(202.059,0.064);(202.072,0.013);(203.071,0.019);(204.088,0.012);(205.081,0.034);(206.082,0.019);(207.083,0.013);(207.843,0.011);(208.038,0.026);(208.049,0.047);(208.065,0.017);(208.388,0.01);(209.049,0.01);(209.093,0.019);(210.061,0.012);(211.067,0.011);(216.085,0.024);(217.079,0.041);(217.087,0.127);(217.098,0.013);(217.127,0.013);(217.2,0.013);(217.316,0.013);(218.072,0.013);(219.079,0.022);(220.08,0.027);(220.861,0.01);(221.067,0.015);(221.087,0.014);(222.024,0.014);(223.002,0.01);(224.919,0.011);(226.83,0.012);(231.079,0.013);(231.094,0.024);(232.074,0.01);(232.998,0.012);(233.085,0.022);(234.057,0.012);(235.075,0.019);(236.041,0.027);(236.081,0.022);(239.073,0.027);(240.073,0.011);(241.081,0.012);(244.081,0.01);(244.852,0.011);(247.065,0.024);(247.079,0.027);(247.089,0.01);(248.081,0.042);(248.096,0.011);(249.087,0.019);(250.06,0.014);(250.078,0.012);(251.111,0.022);(253.05,0.014);(254.047,0.026);(254.063,0.019);(254.093,0.01);(255.057,0.019);(255.218,0.01);(256.058,0.021);(263.065,0.02);(263.108,0.012);(264.076,0.019);(265.086,0.02);(266.045,0.011);(267.068,0.012);(267.095,0.013);(269.074,0.136);(269.092,0.014);(269.112,0.023);(269.127,0.016);(269.148,0.014);(269.262,0.01);(269.552,0.01);(271.061,0.026);(271.089,0.027);(271.111,0.012);(272.06,0.033);(275.065,0.014);(276.063,0.01);(277.077,0.015);(278.091,0.01);(279.079,0.016);(279.107,0.015);(279.132,0.01);(279.809,0.011);(280.11,0.01);(281.073,0.012);(282.039,0.019);(282.084,0.046);(283.05,0.014);(283.064,0.03);(283.087,0.013);(286.052,0.011);(287.08,0.012);(289.079,0.013);(290.089,0.015);(291.058,0.013);(291.099,0.019);(293.043,0.012);(293.085,0.028);(294.953,0.011);(295.094,0.013);(299.087,0.016);(301.054,0.014);(306.085,0.014);(307.066,0.011);(307.105,0.013);(308.086,0.01);(310.075,0.017);(310.879,0.01);(312.062,0.011);(315.086,0.319);(315.145,0.015);(315.19,0.016);(315.236,0.012);(315.286,0.01);(315.501,0.01);(315.733,0.011);(320.115,0.011);(321.092,0.011);(323.1,0.012);(328.107,0.01);(330.106,0.018);(334.489,0.012);(335.076,0.014);(337.101,0.021);(339.092,0.011);(340.966,0.02);(343.106,0.014);(351.113,0.01);(353.099,0.012);(358.98,0.01);(368.166,0.01);(411.211,0.011)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(51.882,0.112);(52.1,0.112);(53.765,0.101);(55.131,0.101);(57.293,0.099);(62.3,0.099);(64.833,0.188);(65.923,0.098);(67.777,0.121);(68.222,0.109);(70.279,0.105);(71.301,0.112);(74.74,0.097);(76.114,0.125);(77.032,0.135);(77.15,0.276);(77.181,0.104);(78.327,0.098);(78.952,0.156);(79.013,0.191);(79.323,0.111);(80.924,0.098);(83.548,0.107);(84.167,0.117);(85.257,0.123);(86.085,0.152);(86.259,0.162);(86.301,0.138);(88.12,0.114);(88.498,0.11);(90.347,0.116);(90.87,0.157);(91.566,0.104);(91.61,0.1);(92.87,0.13);(93.575,0.108);(94.3,0.116);(94.852,0.117);(95.521,0.104);(96.014,0.124);(98.836,0.1);(99.918,0.155);(102.619,0.111);(103.64,0.1);(104.643,0.106);(104.895,0.106);(107.14,0.109);(108.264,0.101);(108.463,0.098);(109.405,0.105);(110.085,0.12);(111.166,0.113);(112.013,0.103);(112.81,0.099);(112.997,0.106);(113.333,0.104);(113.868,0.102);(114.961,0.097);(115.792,0.098);(116.707,0.097);(119.013,0.102);(121.688,0.097);(122.05,0.144);(122.492,0.096);(122.995,0.11);(123.007,0.351);(123.664,0.102);(124.014,0.165);(124.768,0.155);(124.885,0.151);(125.026,0.145);(127.066,0.109);(127.667,0.115);(127.966,0.105);(128.358,0.1);(128.544,0.101);(129.938,0.135);(130.711,0.109);(130.944,0.105);(131.767,0.099);(131.965,0.099);(132.888,0.1);(133.332,0.097);(134.327,0.096);(134.589,0.108);(134.684,0.111);(135.08,0.108);(135.379,0.11);(136.101,0.111);(136.76,0.097);(136.968,0.099);(136.978,0.126);(137.019,0.283);(137.058,0.123);(138.028,0.123);(140.96,0.098);(141.191,0.099);(141.402,0.105);(142.056,0.124);(142.194,0.111);(142.645,0.132);(143.019,0.096);(143.214,0.114);(143.626,0.122);(144.443,0.105);(145.675,0.105);(146.895,0.118);(146.995,0.109);(147.025,0.209);(147.035,0.164);(147.055,0.12);(149.007,0.106);(149.021,0.25);(149.054,0.151);(149.064,0.185);(149.298,0.097);(150.994,0.295);(151.003,1.0);(151.056,0.119);(151.076,0.118);(151.13,0.098);(151.146,0.11);(152.004,0.142);(152.019,0.097);(153.002,0.097);(153.013,0.181);(153.233,0.13);(155.058,0.135);(155.978,0.105);(156.07,0.104);(158.579,0.098);(159.082,0.15);(160.433,0.098);(160.835,0.107);(161.089,0.131);(161.122,0.116);(161.136,0.106);(161.801,0.116);(161.876,0.112);(162.012,0.136);(164.006,0.114);(164.429,0.111);(164.525,0.131);(165.0,0.103);(166.016,0.259);(166.02,0.935);(166.03,0.287);(166.043,0.229);(166.056,0.108);(166.079,0.163);(166.152,0.114);(166.197,0.106);(166.27,0.107);(166.632,0.156);(166.99,0.101);(167.037,0.262);(167.718,0.106);(167.784,0.098);(168.922,0.097);(169.959,0.126);(171.026,0.121);(171.121,0.11);(172.324,0.102);(172.599,0.104);(175.095,0.105);(175.594,0.222);(176.606,0.11);(177.013,0.169);(177.616,0.155);(178.018,0.113);(178.214,0.111);(179.29,0.102);(179.807,0.118);(180.064,0.122);(180.249,0.22);(180.969,0.107);(181.044,0.568);(181.055,0.307);(181.106,0.188);(182.212,0.135);(182.257,0.121);(183.002,0.098);(183.721,0.116);(184.49,0.099);(188.386,0.133);(188.496,0.099);(189.514,0.105);(190.38,0.12);(190.848,0.106);(191.036,0.353);(191.07,0.136);(192.031,0.137);(192.133,0.131);(192.452,0.099);(192.762,0.122);(193.39,0.098);(195.022,0.114);(198.627,0.119);(200.542,0.097);(201.006,0.12);(203.035,0.118);(203.682,0.102);(203.706,0.118);(203.844,0.124);(204.037,0.126);(204.099,0.192);(205.217,0.103);(205.921,0.158);(207.711,0.103);(208.92,0.097);(212.3,0.114);(214.649,0.099);(215.756,0.103);(218.086,0.106);(221.07,0.116);(221.549,0.103);(223.933,0.122);(225.007,0.098);(226.844,0.097);(227.058,0.269);(227.156,0.111);(228.87,0.143);(228.888,0.105);(229.018,0.099);(229.036,0.096);(229.297,0.101);(230.154,0.122);(230.354,0.103);(232.251,0.104);(232.483,0.118);(232.918,0.1);(233.145,0.117);(233.822,0.111);(233.844,0.139);(233.987,0.13);(234.051,0.104);(235.316,0.122);(236.232,0.116);(236.299,0.139);(236.804,0.102);(237.019,0.109);(238.18,0.1);(239.818,0.142);(239.912,0.103);(240.514,0.101);(240.652,0.1);(241.89,0.098);(242.881,0.097);(244.007,0.117);(244.072,0.102);(246.272,0.116);(247.3,0.11);(248.052,0.105);(248.333,0.125);(249.327,0.11);(251.019,0.156);(252.246,0.12);(252.946,0.099);(254.804,0.188);(256.966,0.107);(257.47,0.103);(257.548,0.101);(257.683,0.112);(258.395,0.159);(258.861,0.097);(258.913,0.122);(258.939,0.113);(258.973,0.107);(259.754,0.103);(261.046,0.119);(261.408,0.098);(262.493,0.116);(264.253,0.125);(266.046,0.138);(266.673,0.098);(269.123,0.099);(269.282,0.152);(269.42,0.099);(269.789,0.131);(269.832,0.097);(270.028,0.1);(271.001,0.114);(271.094,0.107);(271.736,0.119);(271.94,0.102);(272.079,0.166);(273.475,0.105);(273.608,0.108);(274.672,0.152);(274.849,0.137);(275.04,0.104);(275.191,0.111);(275.763,0.111);(276.004,0.102);(277.092,0.102);(278.854,0.101);(279.05,0.124);(279.11,0.124);(279.176,0.125);(279.262,0.097);(280.504,0.109);(282.863,0.114);(283.025,0.102);(284.088,0.098);(284.289,0.171);(284.4,0.107);(285.016,0.105);(285.108,0.137);(285.99,0.106);(288.632,0.103);(288.802,0.224);(289.07,0.134);(289.837,0.102);(289.912,0.108);(290.104,0.1);(290.398,0.099);(290.739,0.097);(291.314,0.105);(291.388,0.163);(292.562,0.128);(293.01,0.12);(293.467,0.108);(294.032,0.103);(294.294,0.186);(294.875,0.12);(295.104,0.099);(295.448,0.102);(296.769,0.171);(297.495,0.099);(297.981,0.106);(300.455,0.191);(301.165,0.147);(305.98,0.14);(306.596,0.118);(306.86,0.105);(307.366,0.122);(308.034,0.102);(308.121,0.112);(309.216,0.107);(309.898,0.119);(310.015,0.128);(310.326,0.124);(311.457,0.132);(311.646,0.099);(314.061,0.117);(314.261,0.105);(314.595,0.098);(315.777,0.097);(316.805,0.121);(317.127,0.096);(317.324,0.119);(317.807,0.104);(318.314,0.106);(320.229,0.123);(321.342,0.102);(321.539,0.108);(321.75,0.103);(322.187,0.118);(322.762,0.117);(322.896,0.098);(323.521,0.108);(326.555,0.111);(328.493,0.12);(329.062,0.127);(329.081,0.101);(329.287,0.101);(329.367,0.167);(331.032,0.112);(331.472,0.104);(333.01,0.1);(333.363,0.123);(333.638,0.119);(334.006,0.111);(335.414,0.098);(335.488,0.123);(335.78,0.098);(335.975,0.097);(337.536,0.102);(338.957,0.111);(339.453,0.108);(339.722,0.107);(340.671,0.116);(341.294,0.106);(341.75,0.11);(343.148,0.098);(343.602,0.096);(344.172,0.14);(346.139,0.176);(347.104,0.098);(347.815,0.103);(348.912,0.103);(348.993,0.106);(349.942,0.137);(350.98,0.098);(352.033,0.108);(352.242,0.097);(352.738,0.105);(353.01,0.138);(353.29,0.1);(353.656,0.132);(353.874,0.115);(353.918,0.102);(354.943,0.112);(355.247,0.176);(356.741,0.136);(356.962,0.098);(357.076,0.191);(357.614,0.104);(358.636,0.114);(358.981,0.121);(359.113,0.334);(359.173,0.142);(359.675,0.097);(360.356,0.128);(360.583,0.121);(360.717,0.121);(361.872,0.099);(364.298,0.105);(364.381,0.158);(365.086,0.1);(366.582,0.252);(367.431,0.116);(367.616,0.097);(367.704,0.102);(368.646,0.115);(370.605,0.101);(370.774,0.108);(371.182,0.098);(372.095,0.122);(373.12,0.133);(373.47,0.131);(373.608,0.145);(374.973,0.097);(376.304,0.117);(376.366,0.132);(376.815,0.114);(377.81,0.133);(377.997,0.156);(379.055,0.097);(380.008,0.106);(380.056,0.111);(382.945,0.098);(383.184,0.123);(383.627,0.123);(384.096,0.115);(384.331,0.108);(384.408,0.111);(386.023,0.15);(386.093,0.139);(386.248,0.13);(387.095,0.301);(387.189,0.146);(387.785,0.098);(387.872,0.106);(389.371,0.139);(389.913,0.129);(390.206,0.111);(391.65,0.099);(392.067,0.099);(394.329,0.129);(394.757,0.101);(396.712,0.124);(397.18,0.12);(397.521,0.098);(397.702,0.146);(398.44,0.116);(399.169,0.105);(399.334,0.104);(399.384,0.118);(401.323,0.135);(401.636,0.098);(402.262,0.099);(402.511,0.107);(402.593,0.109);(402.763,0.11);(403.288,0.149);(403.585,0.121);(406.051,0.143);(406.332,0.103);(411.74,0.138);(412.436,0.1);(413.471,0.176);(413.785,0.1);(414.145,0.098);(415.607,0.11);(416.94,0.1)

Food Sources

No food source information available

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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