input word = C00008877

Metabolite InformationStructural formula
Name Catechin 5,7,-di-O-gallate
Formula C29H22O14
Mw 594.10095541
CAS RN
C_ID C00008877 ,
InChIKey MGDQRNRPBMGXIA-BUUNUKEDNA-N
InChICode InChI=1S/C29H22O14/c30-16-2-1-11(3-17(16)31)27-22(36)10-15-23(42-27)8-14(41-28(39)12-4-18(32)25(37)19(33)5-12)9-24(15)43-29(40)13-6-20(34)26(38)21(35)7-13/h1-9,22,27,30-38H,10H2/t22-,27+/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@H](C2)O)c1ccc(c(c1)O)O)OC(=O)c1cc(c(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.
PlantaeFabaceaeAcacia nilotica Ref.
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OrganismAcacia gerrardii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Malan,Phytochem.,30,(1990),2737