input word = C00009091

Metabolite InformationStructural formula
Name Procyanidin C2
Formula C45H38O18
Mw 866.20581441
CAS RN 37064-31-6
C_ID C00009091 ,
InChIKey MOJZMWJRUKIQGL-GGFYJIHZNA-N
InChICode 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 c12c([C@H]([C@@H]([C@H](O1)c1ccc(c(c1)O)O)O)c1c3c([C@@H]([C@@H]([C@H](O3)c3ccc(c(c3)O)O)O)c3c4c(C[C@H]([C@H](O4)c4ccc(c(c4)O)O)O)c(cc3O)O)c(cc1O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeBetula spp. Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaePinaceaePicea abies Ref.
PlantaePinaceaePinus radiata Ref.
PlantaePoaceaeHordeum vulgare Ref.
PlantaeRosaceaePotentilla viscosa Ref.
PlantaeSalicaceaeSalix caprea Ref.
PlantaeTaxodiaceaeCryptomeria japonica Ref.
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OrganismPotentilla viscosa
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Thompson,J.Chem.Soc.Perkin.Trans.,1,(1972),1387

Brandon,Phytochem.,21,(1982),2953