input word = C00010078

Metabolite InformationStructural formula
Name Daidzein 6''-O-acetate
6''-O-Acetyldaidzin
Formula C23H22O10
Mw 458.12129692
CAS RN 71385-83-6
C_ID C00010078 ,
InChIKey ZMOZJTDOTOZVRT-JOGGKIJDNA-N
InChICode InChI=1S/C23H22O10/c1-11(24)30-10-18-20(27)21(28)22(29)23(33-18)32-14-6-7-15-17(8-14)31-9-16(19(15)26)12-2-4-13(25)5-3-12/h2-9,18,20-23,25,27-29H,10H2,1H3/t18-,20+,21-,22+,23+/m0/s1
SMILES O(c1cc2c(c(=O)c(co2)c2ccc(cc2)O)cc1)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeLythraceaePunica granatum Ref.
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