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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26034
    chemical entity 26024
      molecular entity 25991
        main group molecular entity 25834
          gas molecular entity 20728
            oxirane 11457
              epoxide 11475
                17beta,21beta-epoxyhopan-3-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            heteroorganic entity 24766
                              organochalcogen compound 24378
                                organooxygen compound 24054
                                  carbonyl compound 23563
                                    ketone 19347
                                      cyclic ketone 16835
                                        alicyclic ketone 1150
                                          cyclic terpene ketone 148
                                            17beta,21beta-epoxyhopan-3-one 0
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