input word = C00002530

Metabolite InformationStructural formula
Name (-)-Glyceollin I
Formula C20H18O5
Mw 338.11542369
CAS RN 57103-57-8
C_ID C00002530 ,
InChIKey YIFYYPKWOQSCRI-HOFUVJEBNA-N
InChICode InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1
SMILES c12ccc3c(c1C=CC(O2)(C)C)OC[C@@]1([C@H]3Oc2c1ccc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine clandestina Ref.
PlantaeFabaceaeGlycine falcata Ref.
PlantaeFabaceaeGlycine latifolia Ref.
PlantaeFabaceaeGlycine latrobeana Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGlycine soja Ref.
PlantaeFabaceaeGlycine tabacina Ref.
PlantaeFabaceaeGlycine tomentella Ref.
PlantaeFabaceaePsoralea acaulis Ref.
PlantaeFabaceaePsoralea bituminosa Ref.
PlantaeFabaceaePsoralea onobrychis Ref.
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OrganismGlycine latrobeana
ReferenceKeen,Biochem. Syst. Ecol.,14,(1986),481