input word = C00010059

Metabolite InformationStructural formula
Name Puerarostan
3,9-Dihydroxy-4-methoxy-8-prenylcoumestan
Formula C21H18O6
Mw 366.11033831
CAS RN 116107-16-5
C_ID C00010059 ,
InChIKey HTBLUBGREJMDMP-UHFFFAOYSA-N
InChICode InChI=1S/C21H18O6/c1-10(2)4-5-11-8-13-16(9-15(11)23)26-18-12-6-7-14(22)20(25-3)19(12)27-21(24)17(13)18/h4,6-9,22-23H,5H2,1-3H3
SMILES COc1c(O)ccc2c1oc(=O)c1c3cc(CC=C(C)C)c(O)cc3oc21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria tuberosa Ref.
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