input word = C00009870

Metabolite InformationStructural formula
Name Kwakhurin hydrate
7,4',6'-Trihydroxy-3'-methoxy-2'-(3-hydroxy-3-methylbutyl)isoflavone
Formula C21H22O7
Mw 386.13655306
CAS RN 111922-30-6
C_ID C00009870 ,
InChIKey DZZKNTCXUSMJIR-UHFFFAOYSA-N
InChICode InChI=1S/C21H22O7/c1-21(2,26)7-6-13-18(15(23)9-16(24)20(13)27-3)14-10-28-17-8-11(22)4-5-12(17)19(14)25/h4-5,8-10,22-24,26H,6-7H2,1-3H3
SMILES COc1c(O)cc(O)c(-c2coc3cc(O)ccc3c2=O)c1CCC(C)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePueraria mirifica Ref.
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