input word = C00053115

Metabolite InformationStructural formula
Name Dehydroglyceollin I
Formula C20H16O4
Mw 320.104859
CAS RN 59901-97-2
C_ID C00053115
InChIKey MKDQDJLCMZZFSP-UHFFFAOYSA-N
InChICode InChI=1S/C20H16O4/c1-20(2)8-7-13-16(24-20)6-5-14-18(13)22-10-15-12-4-3-11(21)9-17(12)23-19(14)15/h3-9,21H,10H2,1-2H3
SMILES CC1(C)C=Cc2c(ccc3c2OCc2c-3oc3cc(O)ccc23)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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OrganismGlycyrrhiza inflata
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.