input word = C00008876

Metabolite InformationStructural formula
Name Catechin 3,7,-di-O-galate
Formula C29H22O14
Mw 594.10095541
CAS RN 128397-04-6
C_ID C00008876 ,
InChIKey CGOZIOXIWGDPED-IZZVQOSMNA-N
InChICode InChI=1S/C29H22O14/c30-16-2-1-11(3-18(16)32)27-24(43-29(40)13-6-21(35)26(38)22(36)7-13)10-15-17(31)8-14(9-23(15)42-27)41-28(39)12-4-19(33)25(37)20(34)5-12/h1-9,24,27,30-38H,10H2/t24-,27+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
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OrganismAcacia gerrardii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Malan,Phytochem.,29,(1990),1334