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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5067
    role 5032
      biological role 5032
        biochemical role 4953
          metabolite 4941
            marine metabolite 106
              aculene C 0
                aculene A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    main group molecular entity 5027
                      s-block molecular entity 4958
                        hydrogen molecular entity 4951
                          hydrides 4556
                            organic hydride 4400
                              organic fundamental parent 4400
                                hydrocarbon 4360
                                  terpene 4307
                                    sesquiterpene 4296
                                      sesquiterpenoid 4296
                                        aculene C 0
                                          aculene A 0
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