input word = C00008719

Metabolite InformationStructural formula
Name Padmatin 3-glucoside
Formula C22H24O12
Mw 480.12677623
CAS RN 34425-46-2
C_ID C00008719 ,
InChIKey REEVAOJSZYFWDP-KUIOQFFXNA-N
InChICode InChI=1S/C22H24O12/c1-31-9-5-12(26)15-13(6-9)32-20(8-2-3-10(24)11(25)4-8)21(17(15)28)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-27,29-30H,7H2,1H3/t14-,16-,18+,19-,20-,21+,22+/m1/s1
SMILES c1c(c2c(cc1OC)O[C@@H]([C@H](C2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia javanica Ref.
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