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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:aculene C
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Accession:CHEBI:155912 term browser browse the term
Definition:A sesquiterpenoid that is 8,8a-dihydroazulen-1(7H)-one substituted by an ethyl, methyl, hydroxy and methyl groups at positions 3, 6, 8S, and 8aR, respectively. It is a fungal metabolite isolated from Penicillium sp. SCS-KFD08 and Aspergillus aculeatus.
Synonyms:exact_synonym: (8S,8aR)-3-ethyl-8-hydroxy-6,8a-dimethyl-8,8a-dihydroazulen-1(7H)-one
 related_synonym: Formula=C14H18O2;   InChI=1S/C14H18O2/c1-4-10-8-13(16)14(3)11(10)6-5-9(2)7-12(14)15/h5-6,8,12,15H,4,7H2,1-3H3/t12-,14+/m0/s1;   InChIKey=UCCFSWQSMDQYHO-GXTWGEPZSA-N;   SMILES=[C@H]1([C@]2(C(=CC=C(C1)C)C(=CC2=O)CC)C)O
 xref: PMID:25068785;   PMID:25547729;   PMID:27709333;   PMID:31618514


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      biological role 22162
        biochemical role 21431
          metabolite 21379
            marine metabolite 6937
              aculene C 0
                aculene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      s-block molecular entity 21729
                        hydrogen molecular entity 21646
                          hydrides 20758
                            organic hydride 20308
                              organic fundamental parent 20308
                                hydrocarbon 19888
                                  terpene 14714
                                    sesquiterpene 3278
                                      sesquiterpenoid 3278
                                        aculene C 0
                                          aculene A 0
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