input word = C00009685

Metabolite InformationStructural formula
Name Glyceollin III
Formula C20H18O5
Mw 338.11542369
CAS RN 61080-23-7
C_ID C00009685 ,
InChIKey MIYTVBARXCVVHZ-MFCPZMSQNA-N
InChICode InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1
SMILES c12c(cc3c(c1)OC[C@@]1([C@H]3Oc3c1ccc(c3)O)O)C[C@H](O2)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine clandestina Ref.
PlantaeFabaceaeGlycine latifolia Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaeGlycine soja Ref.
PlantaeFabaceaeGlycine tabacina Ref.
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