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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:15-deacetylated citreohybridone E
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Accession:CHEBI:210558 term browser browse the term
Synonyms:exact_synonym: (3S,5R,8S,9R,10S,13R,14R)-3-acetyloxy-17-hydroxy-14-methoxycarbonyl-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-10-carboxylic acid
 related_synonym: Formula=C28H38O8;   InChI=1S/C28H38O8/c1-14-13-18-25(6,28(23(34)35-8)21(31)15(2)20(30)26(14,28)7)11-9-17-24(4,5)19(36-16(3)29)10-12-27(17,18)22(32)33/h13,17-19,30H,9-12H2,1-8H3,(H,32,33)/t17-,18-,19+,25+,26+,27+,28-/m1/s1;   InChIKey=IIAVWNADOABJOD-UOHNCGBGSA-N;   SMILES=O=C1C(=C(O)[C@]2([C@]1(C(=O)OC)[C@@]3([C@@H](C=C2C)[C@@]4(C(=O)O)[C@@H](C([C@@H](OC(=O)C)CC4)(C)C)CC3)C)C)C



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22208
    chemical entity 22207
      atom 22200
        nonmetal atom 22085
          carbon atom 21857
            organic molecular entity 21857
              lipid 18915
                steroid 14888
                  steroid ester 1308
                    15-deacetylated citreohybridone E 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22208
    subatomic particle 22200
      composite particle 22200
        hadron 22200
          baryon 22200
            nucleon 22200
              atomic nucleus 22200
                atom 22200
                  main group element atom 22134
                    p-block element atom 22134
                      carbon group element atom 21931
                        carbon atom 21857
                          organic molecular entity 21857
                            organic molecule 21674
                              organic cyclic compound 21279
                                organic polycyclic compound 17945
                                  steroid 14888
                                    steroid ester 1308
                                      15-deacetylated citreohybridone E 0
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