input word = C00018862

Metabolite InformationStructural formula
Name 7,4'-Dihydroxy-3'-methoxyisoflavan
Formula C16H16O4
Mw 272.104859
CAS RN 202345-78-6
C_ID C00018862 ,
InChIKey BMADVHDZKAZTNF-UHFFFAOYNA-N
InChICode InChI=1S/C16H16O4/c1-19-16-7-10(3-5-14(16)18)12-6-11-2-4-13(17)8-15(11)20-9-12/h2-5,7-8,12,17-18H,6,9H2,1H3/t12-/m1/s1
SMILES COc1cc(C2COc3cc(O)ccc3C2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGliricidia sepium Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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OrganismGlycyrrhiza glabra
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.