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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:prespatane
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Accession:CHEBI:192977 term browser browse the term
Definition:A carbotricyclic compound that is decahydrocyclobuta[1,2-a:3,4-a']dicyclopentene substituted by prop-1-en-2-yl, methyl and methyl groups at positions 1, 3a and 6, respectively (the 1S,3aS,3bR,6S,6aS,6bS-stereoisomer). It is a sesquiterpene initially isolated from the tropical marine sponge Cymbastela hooperi.
Synonyms:exact_synonym: (1S,3aS,3bR,6S,6aS,6bS)-3a,6-dimethyl-1-(prop-1-en-2-yl)decahydrocyclobuta[1,2-a:3,4-a']dicyclopentene
 related_synonym: Formula=C15H24;   InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h10-14H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14+,15-/m0/s1;   InChIKey=KZVOHANKAKKFOK-MTWVNVMRSA-N;   SMILES=[H][C@@]12CC[C@H](C)[C@]1([H])[C@@]1([H])[C@H](CC[C@@]21C)C(C)=C
 xref: PMID:26300167;   PMID:29083151;   PMID:33183275;   PMID:33674578;   PMID:34159200


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            marine metabolite 0
              prespatane 0
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  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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    sesquiterpene 0
                                      prespatane 0
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