input word = C00019447

Metabolite InformationStructural formula
Name 5,7,2',4'-Tetrahydroxyisoflavone 8-C-glucoside
Formula C21H20O11
Mw 448.10056148
CAS RN 173866-82-5
C_ID C00019447 ,
InChIKey HXZMIYTWLNHLCX-KPSHTOCQNA-N
InChICode InChI=1S/C21H20O11/c22-5-13-17(28)18(29)19(30)21(32-13)15-12(26)4-11(25)14-16(27)9(6-31-20(14)15)8-2-1-7(23)3-10(8)24/h1-4,6,13,17-19,21-26,28-30H,5H2/t13-,17-,18+,19-,21+/m1/s1
SMILES O=c1c(-c2ccc(O)cc2O)coc2c([C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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