input word = C00009690

Metabolite InformationStructural formula
Name Glyceollin IV
6a,9-Dihydroxy-3-methoxy-2-prenylpterocarpan
Formula C21H22O5
Mw 354.14672381
CAS RN 69393-94-8
C_ID C00009690 ,
InChIKey WOKIXZBYDPTMJD-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O5/c1-12(2)4-5-13-8-15-18(10-17(13)24-3)25-11-21(23)16-7-6-14(22)9-19(16)26-20(15)21/h4,6-10,20,22-23H,5,11H2,1-3H3/t20-,21+/m0/s1
SMILES COc1cc2c(cc1CC=C(C)C)C1Oc3cc(O)ccc3C1(O)CO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGlycine soja Ref.
PlantaeFabaceaePsophocarpus tetragonolobus Ref.
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OrganismGlycine soja
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 517,Isoflavonoids and neoflavonoids

Lyne,Tetrahedron Lett.,(1978),3127

Ingham,Phytochem.,20,(1981),795