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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:aristoloterpenate-I
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Accession:CHEBI:132825 term browser browse the term
Definition:A sesquiterpenoid obtained by formal condensation of the carboxy group of aristolochic acid with the hydroxy group of (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-ol.
Synonyms:exact_synonym: (1R,2Z,6E,10E)-3-formyl-7,11-dimethylcyclododeca-2,6,10-trien-1-yl 8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
 related_synonym: Formula=C32H31NO8;   InChI=1S/C32H31NO8/c1-19-7-4-9-20(2)13-22(14-21(17-34)10-5-8-19)41-32(35)25-16-28-31(40-18-39-28)30-23-11-6-12-27(38-3)24(23)15-26(29(25)30)33(36)37/h6,8-9,11-12,14-17,22H,4-5,7,10,13,18H2,1-3H3/b19-8+,20-9+,21-14-/t22-/m1/s1;   InChIKey=CNCKKGCRDGSHDH-PTDIUHGLSA-N;   SMILES=[N+]([O-])(=O)C1=C2C(=C3C(=C1)C(OC)=CC=C3)C=4OCOC4C=C2C(O[C@@H]5CC(=CCCC(=CCCC(=C5)C([H])=O)C)C)=O
 xref: CAS:184955-22-4;   CBA:296602;   KNApSAcK:C00027291;   PMID:10096848;   Reaxys:8744291


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      biological role 19867
        biochemical role 19574
          metabolite 19561
            aristolochic acid A 6536
              aristoloterpenate-I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbon oxoacid 18678
                                    carboxylic acid 18675
                                      carboacyl group 17725
                                        univalent carboacyl group 17725
                                          formyl group 9058
                                            aldehyde 9058
                                              alpha,beta-unsaturated aldehyde 3110
                                                enal 3110
                                                  aristoloterpenate-I 0
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