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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:17beta,21beta-epoxyhopan-3-one
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Accession:CHEBI:67825 term browser browse the term
Definition:A hopanoid that is hopan-3-one substituted by an epoxy group across positions 17 and 21. It has been isolated from the bark of Cupania cinerea.
Synonyms:exact_synonym: 17,21-epoxyhopan-3-one
 related_synonym: Formula=C30H48O2;   InChI=1S/C30H48O2/c1-19(2)29-17-15-28(8)22-10-9-21-25(5)13-12-23(31)24(3,4)20(25)11-14-26(21,6)27(22,7)16-18-30(28,29)32-29/h19-22H,9-18H2,1-8H3/t20-,21+,22-,25-,26+,27+,28+,29-,30-/m0/s1;   InChIKey=CMWZPPYBIGXKPR-LPSJIVJRSA-N;   SMILES=[C@]123[C@](CC[C@@]1([C@@]4([C@@]([C@]5([C@]([C@@]6([C@@](C(C(=O)CC6)(C)C)([H])CC5)C)([H])CC4)C)(C)CC2)[H])C)(C(C)C)O3
 xref: PMID:21438586;   Reaxys:9169944


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    chemical entity 22193
      molecular entity 22185
        main group molecular entity 22120
          gas molecular entity 19949
            oxirane 12112
              epoxide 12111
                17beta,21beta-epoxyhopan-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbonyl compound 20188
                                    ketone 17972
                                      cyclic ketone 16398
                                        alicyclic ketone 1150
                                          cyclic terpene ketone 151
                                            17beta,21beta-epoxyhopan-3-one 0
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