input word = C00051009

Metabolite InformationStructural formula
Name Isotoralactone
Formula C15H12O5
Mw 272.06847349
CAS RN 80503-54-4
C_ID C00051009
InChIKey GEZBDPPVXYFNMG-UHFFFAOYSA-N
InChICode InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h4-6,16-17H,1,3H2,2H3
SMILES C=C1Cc2cc3cc(OC)cc(O)c3c(O)c2C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia obtusifolia Ref.
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OrganismCassia obtusifolia
ReferenceChinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999)