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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:cochalic acid
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Accession:CHEBI:139215 term browser browse the term
Definition:A pentacyclic triterpenoid that is oleanane which has been substituted by hydroxy groups at the 3beta and 16beta positions, dehydrogenated to introduce a double bond at the 12-13 position, and in which the methyl substituent at position 17 has undergone oxidation to give the corresponding carboxylic acid. Found in the cactus Myrtillocactus cochal.
Synonyms:exact_synonym: 3beta,16beta-dihydroxyolean-12-en-28-oic acid
 related_synonym: (3beta,16beta)-3,16-dihydroxyolean-12-en-28-oic acid;   Cochalsaeure;   Formula=C30H48O4;   InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23-,27-,28+,29+,30+/m0/s1;   InChIKey=YKOPWPOFWMYZJZ-FMMUPTMQSA-N;   SMILES=[C@@]12(C([C@@]3(CC(CC[C@@]3([C@H](C1)O)C(O)=O)(C)C)[H])=CC[C@]4([C@]2(CC[C@@]5([C@@]4(CC[C@@H](C5(C)C)O)C)[H])C)[H])C
 xref: CAS:545-88-0;   MetaCyc:CPD-20243;   PMID:10374243;   PMID:20387830;   PMID:28478866;   Reaxys:3227090
 cyclic_relationship: is_conjugate_acid_of CHEBI:138946


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  CHEBI ontology 26034
    role 25961
      biological role 25929
        biochemical role 25162
          metabolite 25092
            eukaryotic metabolite 24514
              plant metabolite 20905
                cochalic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    main group molecular entity 25834
                      s-block molecular entity 25166
                        hydrogen molecular entity 24765
                          hydrides 22965
                            organic hydride 21924
                              organic fundamental parent 21924
                                hydrocarbon 21350
                                  terpene 14657
                                    triterpene 893
                                      triterpenoid 890
                                        pentacyclic triterpenoid 474
                                          cochalic acid 0
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