PhytoHub: Showing entry for Procyanidin trimer C2

Procyanidin trimer C2

Identification

PhytoHub ID

PHUB000283

Name

Procyanidin trimer C2

Systematic Name

Not Available

Synonyms

Catechin-(4,8)-catechin-(4,8)-catechin

CAS Number

Not Available

Average Mass

866.781

Monoisotopic Mass

866.205814384

Chemical Formula

C₄₅H₃₈O₁₈

IUPAC Name

(2R,3S,4R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-4-[(2R,3S)-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-WNCKYJNFSA-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+/m0/s1

SMILES

O[C@H]1CC2=C(O)C=C(O)C([C@H]3[C@H](O)[C@H](OC4=C([C@H]5[C@H](O)[C@H](OC6=CC(O)=CC(O)=C56)C5=CC(O)=C(O)C=C5)C(O)=CC(O)=C34)C3=CC(O)=C(O)C=C3)=C2O[C@@H]1C1=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: 219.0162999999998
Polarizability: 86.19807446551306
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: 75644
PubChem: 11182062
MetaboLights: MTBLC75644
Phenol-Explorer: 169
FooDB (Compounds): FDB017715
PeakForestCompound: 000249

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	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	Positive	low	View Spectrum	(467.09727,13.99);(467.09727,13.99);(577.13405,44.16);(577.13405,44.16);(577.13405,44.16);(577.13405,44.16);(577.13405,44.16);(577.13405,44.16);(577.13405,44.16);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(757.17631,42.03);(759.19196,5.64);(759.19196,5.64);(759.19196,5.64);(759.19196,5.64);(811.22326,4.97);(811.22326,4.97);(811.22326,4.97);(811.22326,4.97);(811.22326,4.97);(811.22326,4.97);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(849.20253,19.58);(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	(117.09101,7.48);(123.04406,12.14);(123.04406,12.14);(123.04406,12.14);(151.03897,7.01);(151.03897,7.01);(153.05462,16.55);(155.07027,7.3);(275.0914,6.75);(289.07066,13.07);(289.07066,13.07);(289.07066,13.07);(291.08631,18.03);(291.08631,18.03);(291.08631,18.03);(291.08631,18.03);(293.10196,7.78);(295.11761,14.54);(297.13326,12.48);(577.13405,8.84);(577.13405,8.84);(577.13405,8.84);(577.13405,8.84);(577.13405,8.84);(577.13405,8.84);(577.13405,8.84);(579.1497,9.81);(579.1497,9.81);(579.1497,9.81);(579.1497,9.81);(581.16535,8.88);(583.181,6.74);(617.12897,9.74);(619.14462,6.25);(713.1501,10.64);(713.1501,10.64);(713.1501,10.64);(715.16575,21.07);(715.16575,21.07);(715.16575,21.07);(715.16575,21.07);(715.16575,21.07);(715.16575,21.07);(715.16575,21.07);(717.1814,13.66);(717.1814,13.66);(717.1814,13.66);(717.1814,13.66);(739.16575,14.45);(739.16575,14.45);(739.16575,14.45);(739.16575,14.45);(741.1814,10.45);(741.1814,10.45);(743.16066,13.28);(743.16066,13.28);(743.16066,13.28);(743.16066,13.28);(743.16066,13.28);(743.16066,13.28);(743.16066,13.28);(745.17631,50.57);(745.17631,50.57);(745.17631,50.57);(745.17631,50.57);(745.17631,50.57);(745.17631,50.57);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(757.17631,10.66);(759.19196,8.72);(759.19196,8.72);(759.19196,8.72);(759.19196,8.72);(811.22326,25.55);(811.22326,25.55);(811.22326,25.55);(811.22326,25.55);(811.22326,25.55);(811.22326,25.55);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(839.21818,23.69);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(849.20253,34.44);(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	(123.04406,52.39);(123.04406,52.39);(123.04406,52.39);(125.05971,21.85);(125.05971,21.85);(125.05971,21.85);(149.02332,9.76);(149.02332,9.76);(153.05462,80.25);(269.04445,16.82);(301.07066,14.98);(301.07066,14.98);(301.07066,14.98);(303.08631,22.16);(303.08631,22.16);(333.09688,15.01);(557.10784,15.04);(575.1184,11.02);(575.1184,11.02);(579.1497,23.31);(579.1497,23.31);(579.1497,23.31);(579.1497,23.31);(619.14462,12.02);(699.17083,18.23);(699.17083,18.23);(699.17083,18.23);(699.17083,18.23);(701.1501,9.16);(711.13445,16.96);(711.13445,16.96);(713.1501,20.38);(713.1501,20.38);(713.1501,20.38);(715.16575,100.0);(715.16575,100.0);(715.16575,100.0);(715.16575,100.0);(715.16575,100.0);(715.16575,100.0);(715.16575,100.0);(717.1814,25.66);(717.1814,25.66);(717.1814,25.66);(717.1814,25.66);(745.17631,27.29);(745.17631,27.29);(745.17631,27.29);(745.17631,27.29);(745.17631,27.29);(745.17631,27.29);(759.19196,9.9);(759.19196,9.9);(759.19196,9.9);(759.19196,9.9);(807.19196,13.93);(807.19196,13.93);(807.19196,13.93);(807.19196,13.93);(809.20761,20.13);(809.20761,20.13);(809.20761,20.13);(811.22326,19.55);(811.22326,19.55);(811.22326,19.55);(811.22326,19.55);(811.22326,19.55);(811.22326,19.55);(821.17123,14.91);(821.17123,14.91);(821.17123,14.91);(821.17123,14.91);(823.18688,20.08);(823.18688,20.08);(823.18688,20.08);(823.18688,20.08);(823.18688,20.08);(825.20253,12.98);(825.20253,12.98);(825.20253,12.98);(825.20253,12.98);(825.20253,12.98);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(837.20253,24.5);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(839.21818,20.69);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(849.20253,11.57);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44);(867.21309,44.44)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(847.18797,7.3);(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	(109.0295,11.01);(109.0295,11.01);(153.05572,8.87);(271.0612,10.37);(287.05611,9.45);(287.05611,9.45);(287.05611,9.45);(289.07176,11.29);(289.07176,11.29);(289.07176,11.29);(289.07176,11.29);(577.13515,13.43);(577.13515,13.43);(577.13515,13.43);(649.15628,14.86);(649.15628,14.86);(713.15119,13.06);(713.15119,13.06);(713.15119,13.06);(715.16684,20.57);(715.16684,20.57);(715.16684,20.57);(715.16684,20.57);(729.18249,16.13);(729.18249,16.13);(729.18249,16.13);(729.18249,16.13);(729.18249,16.13);(729.18249,16.13);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(739.16684,36.44);(743.16176,42.09);(743.16176,42.09);(743.16176,42.09);(743.16176,42.09);(743.16176,42.09);(743.16176,42.09);(749.11481,11.23);(749.11481,11.23);(749.11481,11.23);(755.16176,51.15);(755.16176,51.15);(755.16176,51.15);(755.16176,51.15);(755.16176,51.15);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(757.17741,25.59);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(795.19306,19.28);(801.14611,11.74);(801.14611,11.74);(805.14102,12.88);(805.14102,12.88);(805.17741,14.49);(805.17741,14.49);(805.17741,14.49);(807.15667,35.11);(807.15667,35.11);(807.19306,30.7);(807.19306,30.7);(807.19306,30.7);(807.19306,30.7);(809.20871,48.52);(809.20871,48.52);(809.20871,48.52);(819.15667,10.43);(819.15667,10.43);(819.15667,10.43);(819.15667,10.43);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(819.19306,15.42);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(823.18797,23.13);(833.17232,14.31);(833.17232,14.31);(833.17232,14.31);(833.17232,14.31);(833.17232,14.31);(833.17232,14.31);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(835.18797,11.76);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(837.20362,68.87);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(847.18797,42.4);(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	(109.0295,19.22);(109.0295,19.22);(111.04515,24.15);(111.04515,24.15);(123.04515,57.18);(125.02442,19.86);(153.05572,25.93);(179.03498,60.43);(179.03498,60.43);(269.04555,19.58);(271.0612,29.65);(283.02481,28.74);(283.02481,28.74);(283.02481,28.74);(283.02481,28.74);(287.05611,59.19);(287.05611,59.19);(287.05611,59.19);(411.07216,30.67);(467.09837,48.28);(467.09837,48.28);(571.0882,18.28);(577.13515,58.18);(577.13515,58.18);(577.13515,58.18);(713.15119,41.12);(713.15119,41.12);(713.15119,41.12);(715.16684,22.32);(715.16684,22.32);(715.16684,22.32);(715.16684,22.32);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(739.16684,62.82);(775.13046,19.48);(775.13046,19.48);(777.14611,27.0);(777.14611,27.0);(781.17741,36.04);(781.17741,36.04);(781.17741,36.04);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(795.19306,36.35);(805.17741,32.33);(805.17741,32.33);(805.17741,32.33);(807.19306,100.0);(807.19306,100.0);(807.19306,100.0);(807.19306,100.0);(809.20871,30.09);(809.20871,30.09);(809.20871,30.09);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(819.19306,23.1);(821.17232,25.67);(821.17232,25.67);(821.17232,25.67);(821.17232,25.67);(821.17232,25.67);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(823.18797,69.07);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(837.20362,59.53);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(847.18797,43.85);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67);(865.19854,30.67)

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

Back

Showing entry for Procyanidin trimer C2