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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:achilleol A
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Accession:CHEBI:189410 term browser browse the term
Definition:A triterpenoid that is (1S)-2,2-dimethyl-4-methylidenecyclohexanol which is substituted at position 3 by a (6E,10E,14E)-2,6,10,15-tetramethylheptadeca-2,6,10,14-tetraen-17-yl group. It was the first monocyclic triterpenoid found in nature and originally isolated from Achillea odorata.
Synonyms:exact_synonym: (1S,3R)-2,2-dimethyl-4-methylidene-3-[(3E,7E,11E)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraen-1-yl]cyclohexanol
 related_synonym: Formula=C30H50O;   InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,28-29,31H,6,9-12,16-17,19-22H2,1-5,7-8H3/b24-14+,25-18+,26-15+/t28-,29+/m1/s1;   InChIKey=ANKPMKKGZZQDIC-HJSIMFEZSA-N;   SMILES=CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC\\C=C(/C)CC[C@@H]1C(=C)CC[C@H](O)C1(C)C
 xref: CAS:125287-06-1;   Chemspider:4581493;   MetaCyc:CPD-13286;   PMID:10075756;   PMID:10606037;   PMID:10814317;   PMID:10930258;   PMID:12081472;   PMID:17985917;   PMID:18380440;   PMID:23680980;   PMID:27420919



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  CHEBI ontology 19831
    chemical entity 19829
      molecular entity 19829
        polyatomic entity 19787
          molecule 19692
            cyclic compound 19508
              monocyclic compound 17794
                achilleol A 0
Path 2
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  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        hydrogen molecular entity 19604
                          hydrides 19102
                            organic hydride 18674
                              organic fundamental parent 18674
                                hydrocarbon 18410
                                  terpene 14029
                                    triterpene 875
                                      triterpenoid 871
                                        achilleol A 0
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