PhytoHub: Showing entry for Procyanidin trimer C1

Procyanidin trimer C1

Identification

PhytoHub ID

PHUB000282

Name

Procyanidin trimer C1

Systematic Name

Not Available

Synonyms

[Epicatechin-(4β→8)]2-epicatechin
Epicatechin-(4b,8)-epicatechin-(4b,8)-epicatechin
Proanthocyanidin C1
Procyanidin C1
Procyanidol C1

CAS Number

37064-30-5

Average Mass

866.781

Monoisotopic Mass

866.205814384

Chemical Formula

C₄₅H₃₈O₁₈

IUPAC Name

(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

InChI Key

MOJZMWJRUKIQGL-XILRTYJMSA-N

InChI Identifier

InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2/t31-,37-,38+,39-,40-,41-,42-,43-/m1/s1

SMILES

[H][C@]1([C@@H](O)[C@H](OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C=C1)C1=C2O[C@@H]([C@H](O)[C@@]([H])(C3=C(O)C=C(O)C4=C3O[C@@H]([C@H](O)C4)C3=CC(O)=C(O)C=C3)C2=C(O)C=C1O)C1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.47e-01 g/l
LogS (ALOGPS): -3.55
LogP (ALOGPS): 3.38
Hydrogen Acceptors: 18
Hydrogen Donors: 15
Rotatable Bond Count: 5
Polar Surface Area: 331.14
Refractivity: 219.01629999999997
Polarizability: 86.03814635191137
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -5.195437355996722
pKa (strongest acidic): 8.64013483499428
Number of Rings: 9
Rule of Five: No
Bioavailability: No
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 75643
PubChem: 169853
Chemistry Dashboard: DTXSID10190562
MetaboLights: MTBLC75643
Phenol-Explorer: 157
FooDB (Compounds): FDB017710
PeakForestCompound: 000248

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Flavan-3-ols

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Flavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: Biflavonoids and polyflavonoids
Direct Parent Name: Biflavonoids and polyflavonoids
Alternative Parent Names: ["1-benzopyrans", "1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "3-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Alkyl aryl ethers", "B-type proanthocyanidins", "Benzene and substituted derivatives", "C-type proanthocyanidins", "Catechins", "Catechols", "Hydrocarbon derivatives", "Oxacyclic compounds", "Polyols", "Secondary alcohols"]
External Descriptor Annotations: ["hydroxyflavan", "polyphenol", "proanthocyanidin"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "3-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alcohol", "Alkyl aryl ether", "Aromatic heteropolycyclic compound", "B-type proanthocyanidin", "Benzenoid", "Benzopyran", "Bi- and polyflavonoid skeleton", "C-type proanthocyanidin", "Catechin", "Catechol", "Chromane", "Ether", "Flavan", "Flavan-3-ol", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Polyol", "Proanthocyanidin", "Secondary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(125.0295,50.758621);(161.0307,14.528736);(243.0406,14.418391);(287.0688,26.124138);(289.0844,27.733333);(407.096,28.537931);(425.1075,10.845977);(575.1474,11.696552);(577.1609,16.202299);(695.171,10.271264);(713.1839,9.406897);(865.2354,100.0);(866.2419,50.896552)
LC-MS/MS	LC-ESI-QTOF	Negative	high	View Spectrum	(125.0295,0.50750751);(161.0307,0.14514515);(243.0406,0.14414414);(287.0688,0.26126126);(289.0844,0.27727728);(407.096,0.28528529);(425.1075,0.10810811);(575.1474,0.11711712);(577.1609,0.16216216);(695.171,0.1031031);(713.1839,0.09409409);(865.2354,1.0);(866.2419,0.50850851)
LC-MS/MS	ESI- LC-Q-TOF/MS	Negative	low	View Spectrum	(125.0295,0.507);(161.0307,0.145);(243.0406,0.144);(287.0688,0.26);(289.0844,0.277);(407.096,0.285);(425.1075,0.108);(575.1474,0.116);(577.1609,0.161);(695.171,0.102);(713.1839,0.093);(865.2354,0.999);(866.2419,0.508)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(109.0289544,0.934520672);(111.0446045,0.8502041605);(139.0395191,1.552414981);(183.0657338,1.096165801);(289.0712131,2.195572073);(301.0712131,0.912110647);(393.0610424,0.9332233692);(471.1291219,1.13985855);(547.1240366,1.092118872);(577.1346012,1.335176487);(589.1346012,0.858775829);(679.1451659,0.8844491768);(691.1087804,1.416926624);(693.1244305,1.416926624);(695.1400805,3.715433865);(695.1400805,0.9839397438);(697.1557306,1.709934363);(697.1557306,6.522706924);(699.1713807,1.825432453);(699.1713807,5.104210782);(701.1870307,1.468419604);(703.2026808,1.098167313);(711.1349952,1.146636274);(713.1506452,3.984489108);(715.1662953,15.4927281);(717.1819454,0.8527879095);(745.17686,1.770351563);(831.19251,0.9201837998);(837.2030747,0.7609409938);(849.2030747,16.5583337);(867.2136394,19.46685963)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(139.0395191,3.231121645);(151.0395191,1.516299128);(471.1291219,1.793109762);(531.1291219,1.43813019);(547.1240366,6.851475766);(573.1033011,2.299298295);(575.1189512,2.522739803);(577.1346012,2.734722304);(577.1346012,5.314143763);(591.1138658,2.163988497);(593.1295159,11.86117725);(621.1244305,1.592906992);(623.1400805,5.048882563);(685.1557306,2.1337203);(691.1087804,1.921397344);(693.1244305,1.921397344);(695.1400805,1.971114579);(697.1557306,1.476183268);(697.1557306,2.541929549);(699.1713807,1.98642634);(713.1506452,3.949009308);(715.1662953,3.19902211);(715.1662953,4.416921132);(725.1506452,2.337533856);(727.1662953,3.116202605);(743.1612099,3.262982864);(745.17686,6.206847542);(757.17686,1.529058538);(837.2030747,2.983521048);(837.2030747,2.131280974);(849.2030747,4.547455346)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(123.0446045,3.215266899);(151.0395191,1.661705515);(229.0500838,2.456924786);(301.0712131,1.914481545);(439.1029072,2.502888109);(527.0978218,4.556644663);(527.0978218,6.676055815);(531.1291219,5.283717295);(531.1291219,9.04511548);(547.1240366,4.232344778);(573.1033011,2.911062038);(575.1189512,1.405289697);(577.1346012,1.635777772);(577.1346012,6.845217995);(589.1346012,1.84386366);(593.1295159,4.885834631);(679.1451659,1.858344549);(691.1087804,3.690745228);(693.1244305,3.690745228);(697.1557306,1.518131841);(701.1870307,2.253215537);(701.1870307,4.415848911);(703.2026808,2.577951502);(711.1349952,2.705719774);(713.1506452,1.947803785);(725.1506452,2.16732667);(727.1662953,1.603777859);(741.1455598,1.868281836);(805.17686,1.698638643);(807.19251,1.688913769);(849.2030747,5.242364189)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(109.0289544,2.842859719);(137.023869,0.976132353);(151.0395191,0.8356125738);(167.0344337,1.366428934);(181.0500838,0.7391383239);(271.0606485,0.8950302903);(287.0555631,0.7685476465);(289.0712131,3.446984996);(395.0766924,0.5438998438);(411.0716071,1.388918507);(469.1134719,1.858091974);(471.1291219,0.5075387004);(577.1346012,1.922888186);(683.1400805,0.9342974558);(697.1557306,1.292453718);(699.1349952,1.303445326);(711.1349952,0.5489321058);(713.1506452,1.760990045);(713.1506452,4.14681974);(715.1662953,0.4070200086);(715.1662953,1.344995929);(727.1662953,1.768521057);(743.1612099,1.313159103);(755.1612099,2.937053019);(757.17686,2.009830991);(795.19251,0.6088984978);(807.19251,0.4416749939);(823.1874247,0.5436314272);(835.1874247,1.362685822);(847.1874247,9.179321752);(865.1979893,50.00419696)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(109.0289544,3.052764469);(121.0289544,2.150893117);(125.023869,2.047865964);(137.023869,6.084279241);(149.023869,1.495633274);(151.0395191,11.28080496);(163.0395191,2.135151852);(165.0551691,2.094366513);(167.0708192,1.89088106);(245.0449984,1.352881467);(271.0606485,3.397585434);(287.0555631,2.240529597);(289.0712131,10.84773349);(411.0716071,2.259431872);(413.0872571,1.374272066);(451.1029072,2.25327828);(453.1185573,2.288087851);(455.0978218,1.293010044);(455.1342073,2.306378151);(533.1083865,1.23046111);(577.1346012,3.575384475);(591.1138658,2.09607542);(713.1506452,3.698505941);(739.1662953,1.702780854);(741.1455598,1.760295911);(743.1612099,5.720290345);(755.1612099,3.089527508);(757.17686,2.419048541);(823.1874247,1.357288479);(847.1874247,6.533767154);(865.1979893,4.970745565)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(83.01330434,1.028978247);(107.0133043,3.024990771);(109.0289544,3.607988031);(121.0289544,1.499072408);(125.023869,21.19256757);(129.0551691,1.224052196);(131.0708192,1.224052196);(137.023869,1.379735287);(149.0602545,1.313574131);(151.0395191,1.332989501);(285.039913,3.112844228);(287.0555631,1.519752638);(289.0712131,22.21263323);(289.0712131,3.311505752);(395.0766924,2.44653905);(409.055957,0.9968959143);(411.0716071,1.826484355);(413.0872571,6.83723338);(467.0978218,1.279743892);(691.0723949,1.224052196);(695.103695,1.224052196);(695.1400805,1.846550893);(697.1193451,0.9938734413);(697.1557306,1.555415976);(699.1713807,2.194037937);(715.1662953,1.059700061);(727.1662953,1.27771518);(755.1612099,3.585112289);(757.17686,1.386041047);(795.19251,1.002213051);(847.1874247,2.279602948)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(559.12459,4.46);(559.12459,4.46);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(109.0295,10.93);(109.0295,10.93);(135.04515,11.77);(289.07176,9.78);(559.12459,7.73);(559.12459,7.73);(577.13515,7.53);(577.13515,7.53);(577.13515,7.53);(577.13515,7.53);(577.13515,7.53);(577.13515,7.53);(647.14063,21.52);(647.14063,21.52);(649.15628,16.76);(649.15628,16.76);(711.13554,13.12);(711.13554,13.12);(713.15119,24.36);(713.15119,24.36);(715.16684,32.32);(715.16684,32.32);(715.16684,32.32);(715.16684,32.32);(737.15119,14.29);(737.15119,14.29);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(739.16684,80.33);(743.16176,29.23);(743.16176,29.23);(743.16176,29.23);(743.16176,29.23);(743.16176,29.23);(743.16176,29.23);(755.16176,37.81);(755.16176,37.81);(755.16176,37.81);(755.16176,37.81);(755.16176,37.81);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(757.17741,38.39);(783.19306,14.36);(783.19306,14.36);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(795.19306,19.93);(805.17741,18.2);(805.17741,18.2);(805.17741,18.2);(807.15667,19.48);(807.15667,19.48);(807.15667,19.48);(807.19306,36.03);(807.19306,36.03);(807.19306,36.03);(809.20871,84.36);(809.20871,84.36);(809.20871,84.36);(819.15667,8.71);(819.15667,8.71);(819.15667,8.71);(819.15667,8.71);(819.15667,8.71);(819.19306,51.11);(819.19306,51.11);(819.19306,51.11);(819.19306,51.11);(819.19306,51.11);(819.19306,51.11);(821.17232,9.27);(821.17232,9.27);(821.17232,9.27);(821.17232,9.27);(821.17232,9.27);(821.17232,9.27);(821.17232,9.27);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(823.18797,13.92);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(833.17232,31.03);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(835.18797,11.78);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(837.20362,41.28);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(847.18797,51.44);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0);(865.19854,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(111.04515,16.09);(111.04515,16.09);(123.04515,15.96);(135.04515,14.1);(179.03498,15.95);(181.05063,15.89);(181.05063,15.89);(221.08193,15.53);(287.05611,23.79);(289.07176,100.0);(291.08741,46.68);(559.12459,16.27);(559.12459,16.27);(577.13515,16.58);(577.13515,16.58);(577.13515,16.58);(577.13515,16.58);(577.13515,16.58);(577.13515,16.58);(699.13554,27.55);(701.15119,25.87);(701.15119,25.87);(701.15119,25.87);(713.15119,44.04);(713.15119,44.04);(715.16684,19.67);(715.16684,19.67);(715.16684,19.67);(715.16684,19.67);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(739.16684,21.38);(741.14611,17.51);(741.14611,17.51);(743.16176,14.8);(743.16176,14.8);(743.16176,14.8);(743.16176,14.8);(743.16176,14.8);(743.16176,14.8);(777.14611,17.29);(777.14611,17.29);(781.17741,35.38);(781.17741,35.38);(781.17741,35.38);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(795.19306,31.85);(805.17741,19.72);(805.17741,19.72);(805.17741,19.72);(807.19306,46.92);(807.19306,46.92);(807.19306,46.92);(809.20871,33.82);(809.20871,33.82);(809.20871,33.82);(821.17232,21.85);(821.17232,21.85);(821.17232,21.85);(821.17232,21.85);(821.17232,21.85);(821.17232,21.85);(821.17232,21.85);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(823.18797,42.03);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(835.18797,14.73);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(837.20362,17.82);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(847.18797,31.51);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97);(865.19854,50.97)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(647.13953,6.8);(647.13953,6.8);(739.16575,17.89);(739.16575,17.89);(739.16575,17.89);(739.16575,17.89);(739.16575,17.89);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(757.17631,70.38);(759.19196,9.4);(759.19196,9.4);(759.19196,9.4);(811.22326,4.86);(811.22326,4.86);(811.22326,4.86);(811.22326,4.86);(811.22326,4.86);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(849.20253,21.53);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(123.04406,11.67);(135.04406,7.78);(151.03897,9.0);(153.05462,11.15);(153.05462,11.15);(153.05462,11.15);(153.05462,11.15);(153.05462,11.15);(155.07027,5.48);(291.08631,6.97);(291.08631,6.97);(291.08631,6.97);(293.10196,7.25);(411.07106,9.34);(411.07106,9.34);(411.07106,9.34);(575.1184,5.32);(577.13405,15.23);(579.1497,16.72);(579.1497,16.72);(579.1497,16.72);(579.1497,16.72);(583.181,12.64);(617.12897,12.31);(619.14462,7.37);(713.1501,12.18);(713.1501,12.18);(713.1501,12.18);(715.16575,31.5);(715.16575,31.5);(715.16575,31.5);(715.16575,31.5);(715.16575,31.5);(717.1814,9.27);(717.1814,9.27);(717.1814,9.27);(717.1814,9.27);(717.1814,9.27);(717.1814,9.27);(727.16575,6.48);(727.16575,6.48);(727.16575,6.48);(739.16575,7.26);(739.16575,7.26);(739.16575,7.26);(739.16575,7.26);(739.16575,7.26);(741.1814,10.37);(741.1814,10.37);(743.16066,12.16);(743.16066,12.16);(743.16066,12.16);(745.17631,21.93);(745.17631,21.93);(745.17631,21.93);(745.17631,21.93);(745.17631,21.93);(745.17631,21.93);(745.17631,21.93);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(757.17631,9.68);(759.19196,12.61);(759.19196,12.61);(759.19196,12.61);(811.22326,38.1);(811.22326,38.1);(811.22326,38.1);(811.22326,38.1);(811.22326,38.1);(821.20761,13.8);(821.20761,13.8);(821.20761,13.8);(821.20761,13.8);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(837.20253,11.57);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(839.21818,18.63);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(849.20253,24.36);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0);(867.21309,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(109.02841,12.77);(111.04406,11.46);(111.04406,11.46);(123.04406,100.0);(125.05971,79.61);(139.03897,35.08);(139.03897,35.08);(153.05462,23.32);(153.05462,23.32);(153.05462,23.32);(153.05462,23.32);(153.05462,23.32);(291.08631,16.93);(291.08631,16.93);(291.08631,16.93);(295.11761,14.2);(413.08671,11.9);(455.13366,12.8);(455.13366,12.8);(535.12349,11.86);(699.17083,18.44);(699.17083,18.44);(713.1501,14.29);(713.1501,14.29);(713.1501,14.29);(715.16575,55.8);(715.16575,55.8);(715.16575,55.8);(715.16575,55.8);(715.16575,55.8);(717.1814,19.8);(717.1814,19.8);(717.1814,19.8);(717.1814,19.8);(717.1814,19.8);(717.1814,19.8);(741.14501,11.59);(741.14501,11.59);(741.14501,11.59);(741.1814,15.16);(741.1814,15.16);(745.17631,37.28);(745.17631,37.28);(745.17631,37.28);(745.17631,37.28);(745.17631,37.28);(745.17631,37.28);(745.17631,37.28);(791.16066,10.91);(791.16066,10.91);(807.19196,14.63);(807.19196,14.63);(807.19196,14.63);(807.19196,14.63);(809.20761,27.71);(809.20761,27.71);(809.20761,27.71);(811.22326,36.56);(811.22326,36.56);(811.22326,36.56);(811.22326,36.56);(811.22326,36.56);(821.17123,14.54);(821.17123,14.54);(821.17123,14.54);(821.17123,14.54);(821.17123,14.54);(821.20761,11.32);(821.20761,11.32);(821.20761,11.32);(821.20761,11.32);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(823.18688,20.13);(825.20253,16.56);(825.20253,16.56);(825.20253,16.56);(825.20253,16.56);(825.20253,16.56);(825.20253,16.56);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(837.20253,34.42);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(839.21818,20.02);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(849.20253,22.62);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05);(867.21309,35.05)

Food Sources

Name	Group
Apple	Fruit, Pomes	Publications	Show
Apple cider	Beverages, Alcoholic	Publications	Show
Apple juice	Beverages, Non-alcoholic	Publications	Show
Black tea	Teas and herbal teas	Publications	Show
Cocoa	Cocoa and cocoa products	Publications	Show
Cocoa bean	Cocoa and cocoa products	Publications	Show
Green tea	Teas and herbal teas	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 Procyanidin trimer C1