input word = C00008894

Metabolite InformationStructural formula
Name Robinetinidol 3-O-gallate
Formula C22H18O10
Mw 442.0899968
CAS RN 126999-62-0
C_ID C00008894 ,
InChIKey WIEMUOLZHSVGFK-DBHKEIOZNA-N
InChICode InChI=1S/C22H18O10/c23-12-2-1-9-7-18(32-22(30)11-5-15(26)20(29)16(27)6-11)21(31-17(9)8-12)10-3-13(24)19(28)14(25)4-10/h1-6,8,18,21,23-29H,7H2/t18-,21+/m0/s1
SMILES c1(ccc2c(c1)O[C@@H]([C@H](C2)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBurkea africana Ref.
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