input word = C00008865

Metabolite InformationStructural formula
Name Catechin 3-O-gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 25615-05-8
C_ID C00008865 ,
InChIKey LSHVYAFMTMFKBA-LMPOMZQGNA-N
InChICode InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21+/m0/s1
SMILES O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
PlantaeFabaceaeAcacia nilotica Ref.
PlantaeSaxifragaceaeBergenia cordifolia Ref.
PlantaeSaxifragaceaeBergenia crassifolia Ref.
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OrganismBergenia cordifolia
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Haslam,J.Chem.Soc.C.,(1969),1824

Malan,Phytochem.,30,(1991),2737