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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:elongatol A
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Accession:CHEBI:65837 term browser browse the term
Definition:A sesquiterpenoid that is 1,2,3a,4,5,7,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 7. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells.
Synonyms:exact_synonym: (1S,2S,3aS,7S,9S,9aS,9bR)-1,9,9a-trimethyl-1,2,3a,4,5,7,8,9,9a,9b-decahydronaphtho[2,1-b]furan-2,7-diol
 related_synonym: Formula=C15H24O3;   InChI=1S/C15H24O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,11-14,16-17H,4-6H2,1-3H3/t8-,9-,11-,12-,13-,14-,15+/m0/s1;   InChIKey=TTXJNGFMQRHAHH-SPYYHPLRSA-N;   SMILES=[H][C@]12CCC3=C[C@@H](O)C[C@H](C)[C@@]3(C)[C@@]1([H])[C@H](C)[C@@H](O)O2;   lemnal-1(10)-ene-2alpha,12alpha-diol
 xref: Chemspider:17626878;   PMID:17473464;   Reaxys:11101571


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Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      application 19411
        pharmaceutical 19299
          drug 19299
            antineoplastic agent 17257
              elongatol A 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
                    main group molecular entity 19662
                      s-block molecular entity 19429
                        hydrogen molecular entity 19423
                          hydrides 18758
                            organic hydride 18356
                              organic fundamental parent 18356
                                hydrocarbon 18075
                                  terpene 12594
                                    sesquiterpene 2701
                                      sesquiterpenoid 2701
                                        elongatol A 0
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