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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 19880
    role 19850
      biological role 19848
        biochemical role 19556
          metabolite 19544
            aristolochic acid A 6537
              aristoloterpenate-I 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            heteroorganic entity 19512
                              organochalcogen compound 19275
                                organooxygen compound 19191
                                  carbon oxoacid 18658
                                    carboxylic acid 18655
                                      carboacyl group 17699
                                        univalent carboacyl group 17699
                                          formyl group 9051
                                            aldehyde 9051
                                              alpha,beta-unsaturated aldehyde 3108
                                                enal 3108
                                                  aristoloterpenate-I 0
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