input word = C00008874

Metabolite InformationStructural formula
Name Catechin 4'-O-gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 110784-23-1
C_ID C00008874 ,
InChIKey BGMKUBZMMGXFAE-AURADERDNA-N
InChICode InChI=1S/C22H18O10/c23-11-6-13(24)12-8-17(28)21(31-19(12)7-11)9-1-2-18(14(25)3-9)32-22(30)10-4-15(26)20(29)16(27)5-10/h1-7,17,21,23-29H,8H2/t17-,21+/m0/s1
SMILES O=C(Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia gerrardii Ref.
--Pithecolobium lobatum Ref.
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OrganismAcacia gerrardii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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

Lee,Phytochem.,31,(1992),2117