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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:Secasterone
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Accession:CHEBI:178534 term browser browse the term
Synonyms:exact_synonym: (1S,2R,4S,6R,8S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-9-one
 related_synonym: Formula=C28H46O4;   InChI=1S/C28H46O4/c1-14(2)15(3)25(30)26(31)16(4)18-7-8-19-17-11-22(29)21-12-23-24(32-23)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-31H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,23+,24-,25+,26+,27+,28+/m0/s1;   InChIKey=WDGGOKUICSKRHH-UWDHJCPDSA-N;   SMILES=O1[C@H]2C[C@@]3([C@@]4([C@]([C@]5([C@@]([C@](CC5)([C@@H]([C@@H](O)[C@H](O)[C@H](C(C)C)C)C)[H])(CC4)C)[H])(CC(=O)[C@]3(C[C@@H]12)[H])[H])[H])C
 xref: Chemspider:8654166


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              lipid 0
                steroid 0
                  ergostanoid 0
                    Secasterone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    steroid fundamental parent 0
                                      ergostane 0
                                        ergostanoid 0
                                          Secasterone 0
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