input word = C00009523

Metabolite InformationStructural formula
Name Angustone A
5,7,2',4'-Tetrahydroxy-6,3'-diprenylisoflavone
Formula C25H26O6
Mw 422.17293856
CAS RN 90686-13-8
C_ID C00009523 ,
InChIKey KKFAKKIIFUFASS-UHFFFAOYSA-N
InChICode InChI=1S/C25H26O6/c1-13(2)5-7-16-19(26)10-9-15(23(16)28)18-12-31-21-11-20(27)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
SMILES c1(c(c(c2c(c1)occ(c2=O)c1c(c(c(cc1)O)CC=C(C)C)O)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
PlantaeFabaceaeLupinus angustifolius Ref.
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OrganismGlycyrrhiza uralensis
ReferenceSong, W. et al., Anal. Chem., 89, (2017), 3146-3153.