input word = C00009100

Metabolite InformationStructural formula
Name Catechin-(4alpha->8)-gallocatechin-(4alpha->8)-gallocatechin
Formula C45H38O20
Mw 898.19564366
CAS RN 148802-38-4
C_ID C00009100 ,
InChIKey RBFUQMMJTXKBOG-JFKZPVBINA-N
InChICode InChI=1S/C45H38O20/c46-16-8-21(50)31-30(9-16)63-42(13-1-2-18(47)20(49)3-13)39(61)35(31)33-23(52)12-24(53)34-36(40(62)43(65-45(33)34)15-6-27(56)38(60)28(57)7-15)32-22(51)11-19(48)17-10-29(58)41(64-44(17)32)14-4-25(54)37(59)26(55)5-14/h1-9,11-12,29,35-36,39-43,46-62H,10H2/t29-,35-,36-,39-,40-,41-,42+,43+/m0/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](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeCroton lechleri Ref.
PlantaeGrossulariaceaeRibes nigrum Ref.
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OrganismCroton lechleri
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Cai,Phytochem.,30,(1991),2033

Tits,J.Pharm.Biomed.Anal.,10,(1992),1097