input word = C00050671

Metabolite InformationStructural formula
Name 2-Methoxy-6-acetyl-7-methyljuglone
2-Methoxystypandrone
Formula C14H12O5
Mw 260.06847349
CAS RN 85122-21-0
C_ID C00050671
InChIKey SSHJHOVVYKCJJI-UHFFFAOYSA-N
InChICode InChI=1S/C14H12O5/c1-6-4-8-12(14(18)11(6)7(2)15)9(16)5-10(19-3)13(8)17/h4-5,18H,1-3H3
SMILES COC1=CC(=O)c2c(cc(C)c(C(C)=O)c2O)C1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaePolygonum cuspidatum Ref.
PlantaePolygonaceaeRumex aquaticus Ref.
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OrganismPolygonum cuspidatum
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993)