input word = C00027126

Metabolite InformationStructural formula
Name Aristolochic acid Ia methyl ester
Formula C17H11NO7
Mw 341.05355171
CAS RN 309973-78-2
C_ID C00027126 ,
InChIKey MUTBBTONMCXTLD-UHFFFAOYSA-N
InChICode InChI=1S/C17H11NO7/c1-23-17(20)10-6-13-16(25-7-24-13)15-8-3-2-4-12(19)9(8)5-11(14(10)15)18(21)22/h2-6,19H,7H2,1H3
SMILES COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(O)cccc13)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia elegans Ref.
PlantaeAristolochiaceaeAristolochia kaempferi Ref.
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