input word = C00053318

Metabolite InformationStructural formula
Name Hirtellanine I
Formula C21H18O6
Mw 366.11033831
CAS RN 1369378-20-0
C_ID C00053318
InChIKey PEUWWOCVYRAQEV-UHFFFAOYSA-N
InChICode InChI=1S/C21H18O6/c1-21(2)7-6-13-17(27-21)9-15(23)18(20(13)25-3)14-10-26-16-8-11(22)4-5-12(16)19(14)24/h4-10,22-23H,1-3H3
SMILES COc1c2c(cc(O)c1-c1coc3cc(O)ccc3c1=O)OC(C)(C)C=C2
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.