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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:dihydroagarofuran
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Accession:CHEBI:71547 term browser browse the term
Definition:A eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer).
Synonyms:exact_synonym: (3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine
 related_synonym: Formula=C15H26O;   InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1;   InChIKey=HVAVUZLEYSAYGE-UXOAXIEHSA-N;   SMILES=[H][C@@]12CC[C@]3(C)CCC[C@@H](C)[C@]3(C1)OC2(C)C;   dihydro-beta-agarofuran
 xref: PMID:16901807;   Reaxys:1423249


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19818
    role 19790
      biological role 19788
        biochemical role 19501
          metabolite 19486
            dihydroagarofuran 0
              dihydroagarofuran sesquiterpenoid + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19818
    subatomic particle 19816
      composite particle 19816
        hadron 19816
          baryon 19816
            nucleon 19816
              atomic nucleus 19816
                atom 19816
                  main group element atom 19761
                    main group molecular entity 19761
                      s-block molecular entity 19612
                        hydrogen molecular entity 19601
                          hydrides 19077
                            organic hydride 18671
                              organic fundamental parent 18671
                                hydrocarbon 18417
                                  terpene 13730
                                    terpenoid 13410
                                      sesquiterpenoid 3236
                                        eudesmane sesquiterpenoid 3
                                          dihydroagarofuran 0
                                            dihydroagarofuran sesquiterpenoid + 0
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