input word = C00044531

Metabolite InformationStructural formula
Name Aristolochic acid IVa methyl ester
Formula C19H15NO8
Mw 385.07976646
CAS RN 17448-02-1
C_ID C00044531 ,
InChIKey ZBPXXSGUWSGXMY-UHFFFAOYSA-N
InChICode InChI=1S/C19H15NO8/c1-24-9-4-11-10(14(5-9)25-2)6-13(20(22)23)16-12(19(21)26-3)7-15-18(17(11)16)28-8-27-15/h4-7H,8H2,1-3H3
SMILES COC(=O)c1cc2c(c3c1c([N+](=O)[O-])cc1c(OC)cc(OC)cc13)OCO2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAristolochiaceaeAristolochia manshuriensis Ref.
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