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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:candelalide C
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Accession:CHEBI:65573 term browser browse the term
Definition:A diterpenoid isolated from Sesquicillium candelabrum and has been shown to act as a blocker of the voltage-gated potassium channel Kv1.3.
Synonyms:exact_synonym: 3-{[(3R,4aR,6aR,7R,10aR,10bS)-3-(2-hydroxypropan-2-yl)-6a,10b-dimethyl-8-methylidenedodecahydro-1H-benzo[f]chromen-7-yl]methyl}-2-methoxy-5,6-dimethyl-4H-pyran-4-one
 related_synonym: Formula=C28H42O5;   InChI=1S/C28H42O5/c1-16-9-10-21-27(6,13-12-23-28(21,7)14-11-22(33-23)26(4,5)30)20(16)15-19-24(29)17(2)18(3)32-25(19)31-8/h20-23,30H,1,9-15H2,2-8H3/t20-,21-,22-,23-,27-,28+/m1/s1;   InChIKey=JFVQSDWMRIDOHK-RFHSWFGCSA-N;   SMILES=[H][C@@]12CC[C@]3(C)[C@H](Cc4c(OC)oc(C)c(C)c4=O)C(=C)CC[C@@]3([H])[C@]1(C)CC[C@@H](O2)C(C)(C)O
 xref: PMID:11430046;   PMID:19191240;   Reaxys:8738976


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19870
      biological role 19868
        biochemical role 19579
          metabolite 19566
            candelalide C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19725
                              organic cyclic compound 19517
                                organic heterocyclic compound 18894
                                  organic heteromonocyclic compound 17817
                                    pyrans 1168
                                      pyranone 1133
                                        4-pyranones 423
                                          candelalide C 0
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