input word = C00009092

Metabolite InformationStructural formula
Name [Catechin-(4alpha->8)]2-epicatechin
Formula C45H38O18
Mw 866.20581441
CAS RN 97233-64-2
C_ID C00009092 ,
InChIKey MOJZMWJRUKIQGL-BCJPQJPTNA-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 Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTaxodiaceaeCryptomeria japonica Ref.
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OrganismCryptomeria japonica
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Samejima,Mokuzai Gakkai,25,(1979),671

Delcour,Chem.Abstr.,113,(1990),229596