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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:triptoquinone A
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Accession:CHEBI:132352 term browser browse the term
Definition:A tricyclic diterpenoid with formula C20H24O4, originally isolated from Tripterygium wilfordii.
Synonyms:exact_synonym: (4aS,10aS)-1,4a-dimethyl-5,8-dioxo-7-(propan-2-yl)-3,4,4a,5,8,9,10,10a-octahydrophenanthrene-2-carboxylic acid
 related_synonym: (4aS-trans)-3,4,4a,5,8,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-5,8-dioxo-2-phenanthrenecarboxylic acid;   Formula=C20H24O4;   InChI=1S/C20H24O4/c1-10(2)14-9-16(21)17-13(18(14)22)5-6-15-11(3)12(19(23)24)7-8-20(15,17)4/h9-10,15H,5-8H2,1-4H3,(H,23,24)/t15-,20-/m0/s1;   InChIKey=PDPFWAJAYGLYHD-YWZLYKJASA-N;   SMILES=O=C1C=2[C@@]3([C@@](CCC2C(=O)C(=C1)C(C)C)(C(=C(CC3)C(O)=O)C)[H])C
 xref: CAS:142950-86-5;   KNApSAcK:C00035774;   PMID:25047514;   PMID:8699928;   PMID:8702429;   Pubchem:132524;   Reaxys:5450180


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Term Annotations click to browse term
  CHEBI ontology 22306
    role 22291
      biological role 22290
        biochemical role 21503
          metabolite 21452
            eukaryotic metabolite 21313
              plant metabolite 19235
                triptoquinone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      carbon group element atom 21983
                        carbon atom 21923
                          organic molecular entity 21923
                            heteroorganic entity 21563
                              organochalcogen compound 21047
                                organooxygen compound 20895
                                  carbonyl compound 20218
                                    ketone 18063
                                      cyclic ketone 16628
                                        quinone 10040
                                          p-quinones 8677
                                            triptoquinone A 0
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