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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:cardivin A
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Accession:CHEBI:65576 term browser browse the term
Definition:A germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon).
Synonyms:exact_synonym: (3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-11-[(2-methylbutanoyl)oxy]-3-methylidene-2,5-dioxododecahydrocyclodeca[b]furan-4-yl (2Z)-2-methylbut-2-enoate
 related_synonym: Formula=C25H36O9;   InChI=1S/C25H36O9/c1-8-12(3)22(28)32-19-17-15(6)24(30)33-20(17)21(34-23(29)13(4)9-2)25(7,31)11-16(26)10-14(5)18(19)27/h8,13-14,16-17,19-21,26,31H,6,9-11H2,1-5,7H3/b12-8-/t13?,14-,16-,17-,19-,20+,21-,25-/m0/s1;   InChIKey=NAOJFCUVTXMIRE-ZOANBUIWSA-N;   SMILES=[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](OC(=O)C(\\C)=C/C)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)C(C)CC
 xref: PMID:9392887



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Path 1
Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        biochemical role 25170
          metabolite 25100
            cardivin A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  ester 18759
                                    carboxylic ester 17841
                                      lactone 12966
                                        terpene lactone 2245
                                          sesquiterpene lactone 2098
                                            germacranolide 7
                                              cardivin A 0
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