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CHEBI:194149 - aristolochic acid B

ChEBI IDCHEBI:194149
ChEBI Namearistolochic acid B
Stars
DefinitionAn aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10.
Last Modified12 September 2024
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H9NO6
Net Charge0
Average Mass311.249
Monoisotopic Mass311.04299
SMILESO=C(O)c1cc2c(c3c1c([N+](=O)[O-])cc1ccccc13)OCO2
InChIInChI=1S/C16H9NO6/c18-16(19)10-6-12-15(23-7-22-12)14-9-4-2-1-3-8(9)5-11(13(10)14)17(20)21/h1-6H,7H2,(H,18,19)
InChIKeyMEEXETVZNQYRSP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aristolochia (ncbitaxon:12947) - PubMed (21141875)
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
nephrotoxin  A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
nephrotoxin  A toxin that is produced by a biological organism such as a microbe, animal or plant which interferes with the function of the kidney in animals.
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
ChEBI Ontology
Outgoing Relation(s)
aristolochic acid B (CHEBI:194149) has role carcinogenic agent (CHEBI:50903)
aristolochic acid B (CHEBI:194149) has role metabolite (CHEBI:25212)
aristolochic acid B (CHEBI:194149) has role mutagen (CHEBI:25435)
aristolochic acid B (CHEBI:194149) has role nephrotoxin (CHEBI:61015)
aristolochic acid B (CHEBI:194149) is a C-nitro compound (CHEBI:35716)
aristolochic acid B (CHEBI:194149) is a aristolochic acids (CHEBI:194147)
aristolochic acid B (CHEBI:194149) is a aromatic ether (CHEBI:35618)
aristolochic acid B (CHEBI:194149) is a cyclic acetal (CHEBI:59770)
aristolochic acid B (CHEBI:194149) is a monocarboxylic acid (CHEBI:25384)
aristolochic acid B (CHEBI:194149) is a organic heterotetracyclic compound (CHEBI:38163)
IUPAC Name 
6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
Synonyms  Source
6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acidIUPAC
AABChEBI
Citations