input word = C00009586

Metabolite InformationStructural formula
Name 12a-Hydroxypachyrrhizone
Formula C20H14O8
Mw 382.06886743
CAS RN 28768-44-7
C_ID C00009586 ,
InChIKey DDGYXSWHWAQNRQ-UHFFFAOYNA-N
InChICode InChI=1S/C20H14O8/c1-23-18-16-9(2-3-24-16)4-10-17(18)28-15-7-25-12-6-14-13(26-8-27-14)5-11(12)20(15,22)19(10)21/h2-6,15,22H,7-8H2,1H3/t15-,20-/m1/s1
SMILES c12c(cc3c(c1OC)O[C@H]1[C@@](C3=O)(c3cc4c(cc3OC1)OCO4)O)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePachyrrhizus erosus Ref.
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