EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:746938 - aristolochate-I(1-)

Default Structure
ChEBI IDCHEBI:746938
ChEBI Namearistolochate-I(1-)
Stars
DefinitionMajor species at pH 7.3 (predicted).
Last Modified20 November 2025
SubmitterR. Stephan
DownloadsMolfile
FormulaC17H10NO7
Net Charge-1
Average Mass340.267
Monoisotopic Mass340.04628
SMILESCOc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)[O-])cc3c(c12)OCO3
InChIInChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)/p-1
InChIKeyBBFQZRXNYIEMAW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
aristolochate-I(1-) (CHEBI:746938) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate