input word = C00009098

Metabolite InformationStructural formula
Name Procyanidin C1
[Epicatechin-(4beta->8)]2-epicatechin
Formula C45H38O18
Mw 866.20581441
CAS RN 65085-09-8
C_ID C00009098 ,
InChIKey MOJZMWJRUKIQGL-UZWUUNAJNA-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
PlantaeAizoaceaeNelia meyeri Ref.
PlantaeBetulaceaeBetula spp. Ref.
PlantaeDioscoreaceaeDioscorea cirrhosa Ref.
PlantaeFabaceaeCampylotropis hirella Ref.
PlantaeFabaceaeVicia faba Ref.
PlantaeLauraceaeCinnamomum cassia Blume. Ref.
PlantaeLauraceaeCinnamomum comphora Ref.
PlantaeLauraceaeCinnamomum obtusifolium Nees. Ref.
PlantaeLauraceaeCinnamomum zeylanicum Ref.
PlantaeMalvaceaeTheobroma cacao Ref.
PlantaePinaceaePinus taeda Ref.
PlantaePinaceaePseudotsuga menziesii Ref.
PlantaeRhizophoraceaeKandelia candel Ref.
PlantaeRosaceaeColeogyne ramosissima Torr. Ref.
PlantaeRosaceaeCrataegus oxyacantha Ref.
PlantaeRosaceaeEriobotrya japonica Ref.
PlantaeRosaceaePrunus avium Ref.
PlantaeRosaceaeRhaphiolepis umbellata Ref.
PlantaeRubiaceaeCinchona succirubra Ref.
PlantaeSalicaceaeSalix daphnoides Ref.
PlantaeSapindaceaeAesculus hippocastanum Ref.
PlantaeTheaceaeCamellia sinensis Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismCinnamomum cassia Blume.
ReferenceMorimoto,Chem.Pharm.Bull.,34,(1986),633