input word = C00009778

Metabolite InformationStructural formula
Name Isoglycyrol
Formula C21H18O6
Mw 366.11033831
CAS RN 23013-86-7
C_ID C00009778 ,
InChIKey OJFZQSUOBVJAIP-UHFFFAOYSA-N
InChICode InChI=1S/C21H18O6/c1-21(2)7-6-12-13(24-3)9-15-17(18(12)27-21)19-16(20(23)26-15)11-5-4-10(22)8-14(11)25-19/h4-5,8-9,22H,6-7H2,1-3H3
SMILES COc1cc2oc(=O)c3c4ccc(O)cc4oc3c2c2c1CCC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza aspera Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza sp. Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
zoom in



OrganismGlycyrrhiza inflata
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.