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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:preaustinoid A
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Accession:CHEBI:69023 term browser browse the term
Definition:A meroterpenoid found in Penicillium rubrum.
Synonyms:exact_synonym: methyl (4aS,6aS,7R,9S,11R,12aS,12bS)-9-hydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylidene-3,8,10-trioxotetradecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate
 related_synonym: Formula=C26H36O6;   InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1;   InChIKey=IRPHRMHQEPXQQF-RFMSQVAGSA-N;   SMILES=[H][C@]12CC[C@@]3(C)[C@@]([H])(C[C@]4(C)C(=C)[C@@]3(C(=O)OC)C(=O)[C@@](C)(O)C4=O)[C@]1(C)CCC(=O)C2(C)C
 xref: PMID:12453515;   PMID:21581839;   PMID:21916432;   PMID:23865690;   PMID:27809506;   Reaxys:9304223

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            preaustinoid A 0
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxyketone 0
                                        alpha-oxyketone 0
                                          alpha-hydroxy ketone 0
                                            tertiary alpha-hydroxy ketone 0
                                              preaustinoid A 0
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