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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:nomilin
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Accession:CHEBI:7609 term browser browse the term
Definition:A limonoid with formula C28H34O9. It is commonly found in edible citrus fruits including lemons, limes, oranges, and grapefruits. The compound exhibits a variety of biological and pharmacological activities including anticancer, antiinflammatory, antiobesity, and antiviral.
Synonyms:exact_synonym: (5S,5aR,5bR,7aS,8S,10aS,11aR,11bR,13aR)-8-(furan-3-yl)-1,1,5a,7a,11b-pentamethyl-3,10,12-trioxohexadecahydrooxireno[4,4a]isochromeno[6,5-g][2]benzoxepin-5-yl acetate
 related_synonym: (1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione;   1-(acetyloxy)-1,2-dihydro-obacunoic acid epsilon-lactone;   Formula=C28H34O9;   InChI=1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1;   InChIKey=KPDOJFFZKAUIOE-WNGDLQANSA-N;   SMILES=[H][C@]12CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]1(C)C(=O)C[C@]1([H])[C@]2(C)[C@H](CC(=O)OC1(C)C)OC(C)=O)C1=COC=C1
 xref: AGR:IND607340705;   CAS:1063-77-0;   KEGG:C08773;   KNApSAcK:C00003722
 xref_mesh: MESH:C059405
 xref: PDBeChem:G3L;   PMID:10995325;   PMID:14648393;   PMID:16719503;   PMID:21665879;   PMID:21693102;   PMID:21839074;   PMID:23374727;   PMID:25212475;   PMID:26544116;   PMID:26547535;   PMID:2710645;   PMID:27135815;   PMID:28551013;   PMID:28594916;   PMID:31093421;   PMID:31389456;   PMID:32564468;   PMID:32633501;   PMID:33991286;   PMID:35686814;   PMID:36139710;   PMID:36615463;   PMID:37076464;   PMID:37291126;   PMID:37401768;   PMID:38027676;   PMID:38088731

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  CHEBI ontology 0
    role 0
      chemical role 0
        antioxidant 0
          nomilin 0
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  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
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        acetic acid 0
                                          acetate ester 0
                                            nomilin 0
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