input word = C00002556

Metabolite InformationStructural formula
Name Pachyrrhizone
Formula C20H14O7
Mw 366.0739528
CAS RN 42485-00-7
C_ID C00002556 ,
InChIKey RZZBXVGBWLOHHV-REIYMHPCNA-N
InChICode InChI=1S/C20H14O7/c1-22-20-18-9(2-3-23-18)4-11-17(21)16-10-5-13-14(26-8-25-13)6-12(10)24-7-15(16)27-19(11)20/h2-6,15-16H,7-8H2,1H3/t15-,16+/m1/s1
SMILES c12c(cc3c(c1OC)O[C@H]1[C@@H](C3=O)c3c(OC1)cc1c(c3)OCO1)cco2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaePachyrrhizus erosus Ref.
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