input word = C00009087

Metabolite InformationStructural formula
Name Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin
Formula C45H38O18
Mw 866.20581441
CAS RN 101469-10-7
C_ID C00009087 ,
InChIKey SXEONTJNLWOUBB-NPBBBJTQNA-N
InChICode InChI=1S/C45H38O18/c46-18-10-27(54)33-31(11-18)61-43(16-2-5-21(48)25(52)8-16)40(59)37(33)34-29(56)14-32-36(39(34)58)38(41(60)44(62-32)17-3-6-22(49)26(53)9-17)35-28(55)13-23(50)19-12-30(57)42(63-45(19)35)15-1-4-20(47)24(51)7-15/h1-11,13-14,30,37-38,40-44,46-60H,12H2/t30-,37+,38-,40-,41-,42-,43-,44-/m1/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@H]2c1c(O)cc2c(c1O)[C@H](c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C3)[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePinaceaePseudotsuga menziesii Ref.
PlantaeRhizophoraceaeKandelia candel Ref.
PlantaeVitaceaeVitis vinifera Ref.
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OrganismKandelia candel
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hsu,Chem.Pharm.Bull.,33,(1985),3142

Foo,Phytochem.,28,(1989),1743