input word = C00052576

Metabolite InformationStructural formula
Name 1-Methoxyphaseollin
Formula C21H20O5
Mw 352.13107375
CAS RN 157226-48-7
C_ID C00052576
InChIKey PSJNLMVDUBCKQD-VBKZILBWSA-N
InChICode InChI=1S/C21H20O5/c1-21(2)7-6-13-15(26-21)5-4-12-14-10-24-17-9-11(22)8-16(23-3)18(17)20(14)25-19(12)13/h4-9,14,20,22H,10H2,1-3H3/t14-,20+/m0/s1
SMILES COc1cc(O)cc2c1[C@@H]1Oc3c(ccc4c3C=CC(C)(C)O4)[C@@H]1CO2
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 glabra
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.