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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 C
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Accession:CHEBI:65578 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-3-methylidene-4-[(2-methylpropanoyl)oxy]-2,5-dioxododecahydrocyclodeca[b]furan-11-yl (2Z)-2-methylbut-2-enoate
 related_synonym: 2,10-dihydroxy-5-oxo-6-(isobutyloxy)-9-(angeloyloxy)-germacran-8,12-olide;   Formula=C24H34O9;   InChI=1S/C24H34O9/c1-8-12(4)22(28)33-20-19-16(14(6)23(29)32-19)18(31-21(27)11(2)3)17(26)13(5)9-15(25)10-24(20,7)30/h8,11,13,15-16,18-20,25,30H,6,9-10H2,1-5,7H3/b12-8-/t13-,15-,16-,18-,19+,20-,24-/m0/s1;   InChIKey=XWZYMNOGYGCQNQ-WFRDMGJCSA-N;   SMILES=[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](OC(=O)C(C)C)C(=O)[C@@H](C)C[C@H](O)C[C@](C)(O)[C@H]2OC(=O)C(\\C)=C/C
 xref: PMID:9392887


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            cardivin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic group 18520
                              organic divalent group 18513
                                organodiyl group 18513
                                  carbonyl group 18415
                                    carbonyl compound 18415
                                      carboxylic ester 14085
                                        lactone 5980
                                          terpene lactone 1769
                                            sesquiterpene lactone 1618
                                              germacranolide 6
                                                cardivin C 0
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