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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:aristolochic acid A
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Accession:CHEBI:2825 term browser browse the term
Definition:An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic.
Synonyms:exact_synonym: 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid
 related_synonym: 3,4-methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid;   8-methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid;   8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid;   AAA;   Aristolochic acid;   Aristolochic acid I;   Formula=C17H11NO7;   InChI=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);   InChIKey=BBFQZRXNYIEMAW-UHFFFAOYSA-N;   SMILES=COc1cccc2c1cc([N+]([O-])=O)c1c(cc3OCOc3c21)C(O)=O;   aristolochin
 xref: CAS:313-67-7;   KEGG:C08469;   KNApSAcK:C00001526;   KNApSAcK:C00027516;   LINCS:LSM-2373
 xref_mesh: MESH:C000228
 xref: PMID:21558304;   PMID:21719716;   PMID:22071594;   PMID:22118289;   PMID:22126455;   PMID:22245565;   PMID:22373701;   Reaxys:345159;   Wikipedia:Aristolochic_acid


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      CHEBI ontology 19932
        role 19904
          biological role 19902
            biochemical role 19598
              metabolite 19585
                aristolochic acid A 6529
                  aristoloterpenate-I 0
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      CHEBI ontology 19932
        subatomic particle 19930
          composite particle 19930
            hadron 19930
              baryon 19930
                nucleon 19930
                  atomic nucleus 19930
                    atom 19930
                      main group element atom 19876
                        p-block element atom 19876
                          carbon group element atom 19816
                            carbon atom 19812
                              organic molecular entity 19812
                                heteroorganic entity 19559
                                  organochalcogen compound 19317
                                    organooxygen compound 19231
                                      carbon oxoacid 18687
                                        carboxylic acid 18684
                                          monocarboxylic acid 18025
                                            aristolochic acids 6564
                                              aristolochic acid A 6529
                                                aristoloterpenate-I 0
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