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 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)O
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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