input word = C00008897

Metabolite InformationStructural formula
Name Catechin 3-O-(1,6-dihydroxy-2-cyclohexene-1-carboxylate)
Formula C22H22O9
Mw 430.1263823
CAS RN 99257-73-5
C_ID C00008897 ,
InChIKey HJZDCSVJQHSHLC-MENOXATQNA-N
InChICode InChI=1S/C22H22O9/c23-12-8-15(25)13-10-18(31-21(28)22(29)6-2-1-3-19(22)27)20(30-17(13)9-12)11-4-5-14(24)16(26)7-11/h2,4-9,18-20,23-27,29H,1,3,10H2/t18-,19-,20+,22+/m0/s1
SMILES O=C(O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)C1(O)C=CCCC1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSalicaceaeSalix sieboldiana Ref.
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OrganismSalix sieboldiana
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hsu,Phytochem.,24,(1985),2089