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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:3beta-hydroxyatractylon
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Accession:CHEBI:144385 term browser browse the term
Definition:An organic heterotricyclic compound that is (4aR,8aR)-8a-methyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan substituted by a methyl group, methylidene group and a hydroxy group at positions 3, 5 and 6S, respectively. It is a sesquiterpenoid isolated from the plant, Atractylodes lancea.
Synonyms:exact_synonym: (4aR,6S,8aR)-3,8a-dimethyl-5-methylidene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-6-ol
 related_synonym: (4aR,6S,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran-6-ol;   Formula=C15H20O2;   InChI=1S/C15H20O2/c1-9-8-17-14-7-15(3)5-4-13(16)10(2)12(15)6-11(9)14/h8,12-13,16H,2,4-7H2,1,3H3/t12-,13-,15+/m0/s1;   InChIKey=HNLZDVOBUHDCLO-KCQAQPDRSA-N;   SMILES=O1C2=C(C[C@]3(C(=C)[C@@H](O)CC[C@@]3(C2)C)[H])C(=C1)C
 xref: KEGG:C17884;   PMID:988162


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    chemical entity 19786
      molecular entity 19784
        polyatomic entity 19704
          heteroatomic molecular entity 19635
            hydroxides 19103
              organic hydroxy compound 18667
                3beta-hydroxyatractylon 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19443
                        hydrogen molecular entity 19439
                          hydrides 18763
                            organic hydride 18363
                              organic fundamental parent 18363
                                hydrocarbon 18078
                                  terpene 12719
                                    sesquiterpene 2727
                                      sesquiterpenoid 2727
                                        3beta-hydroxyatractylon 0
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