input word = C00008872

Metabolite InformationStructural formula
Name Catechin 7-O-gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 89702-01-2
C_ID C00008872 ,
InChIKey WKIHBIBUCQPPBY-DBHKEIOZNA-N
InChICode InChI=1S/C22H18O10/c23-13-2-1-9(3-15(13)25)21-18(28)8-12-14(24)6-11(7-19(12)32-21)31-22(30)10-4-16(26)20(29)17(27)5-10/h1-7,18,21,23-29H,8H2/t18-,21+/m0/s1
SMILES O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
PlantaeRosaceaeSanguisorba officinalis Ref.
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OrganismSanguisorba officinalis
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Tanaka,Phytochem.,22,(1983),2575

Malan,Phytochem.,26,(1987),2049