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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:cadiyenol
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Accession:CHEBI:65538 term browser browse the term
Definition:An acetylenic compound that is (8E)-heptadeca-1,8-diene-4,6-diyne substituted by hydroxy group at positions 6 and 15, a methoxy group at position 8 and a (5-methoxy-5-oxopentyl)oxy group at position 7. Isolated from Centella asiatica, it exhibits antineoplastic activity.
Synonyms:exact_synonym: methyl 5-{[(9E)-6,15-dihydroxy-8-methoxyheptadeca-9,16-diene-11,13-diyn-7-yl]oxy}pentanoate
 related_synonym: Formula=C24H36O6;   InChI=1S/C24H36O6/c1-5-7-10-16-21(26)24(30-19-14-13-18-23(27)29-4)22(28-3)17-12-9-8-11-15-20(25)6-2/h6,12,17,20-22,24-26H,2,5,7,10,13-14,16,18-19H2,1,3-4H3/b17-12+;   InChIKey=LCCGCXCFZHBCJT-SFQUDFHCSA-N;   SMILES=CCCCCC(O)C(OCCCCC(=O)OC)C(OC)\\C=C\\C#CC#CC(O)C=C
 xref: PMID:17520525;   Reaxys:11222769


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Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            cadiyenol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      chalcogen 19391
                        oxygen atom 19354
                          oxygen molecular entity 19354
                            hydroxides 19077
                              organic hydroxy compound 18656
                                alcohol 15010
                                  aliphatic alcohol 11148
                                    alkyl alcohol 11100
                                      methanol 3086
                                        methyl ester 3075
                                          cadiyenol 0
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