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ONTOLOGY REPORT - ANNOTATIONS


Term:clerodin
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Accession:CHEBI:67461 term browser browse the term
Definition:A diterpenoid isolated from Ajuga bracteosa.
Synonyms:exact_synonym: {(1R,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl}methyl acetate
 related_synonym: 3-Deoxycaryoptinol;   Formula=C24H34O7;   InChI=1S/C24H34O7/c1-14-10-20(30-16(3)26)24(13-28-15(2)25)18(6-5-8-23(24)12-29-23)22(14,4)19-11-17-7-9-27-21(17)31-19/h7,9,14,17-21H,5-6,8,10-13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23+,24+/m1/s1;   InChIKey=CNIWQELMLPUFOS-NVSXQWMQSA-N;   SMILES=C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](CCC[C@]22CO2)[C@@]1(C)[C@@H]1C[C@H]2C=CO[C@H]2O1
 alt_id: CHEBI:3742
 xref: CAS:464-71-1 "ChemIDplus";   CAS:464-71-1 "KEGG COMPOUND";   KEGG:C09075;   KNApSAcK:C00003415;   PMID:21539300 "Europe PMC";   Reaxys:1442951 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 23677
    role 23565
      application 22946
        food additive 15414
          food acidity regulator 12369
            acetic acid 10902
              acetate ester 3275
                clerodin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23677
    subatomic particle 23624
      composite particle 23624
        hadron 23624
          baryon 23624
            nucleon 23624
              atomic nucleus 23624
                atom 23624
                  main group element atom 23441
                    p-block element atom 23441
                      carbon group element atom 23142
                        carbon atom 23118
                          organic molecular entity 23118
                            organic group 21814
                              organic divalent group 21784
                                organodiyl group 21784
                                  carbonyl group 21756
                                    carbonyl compound 21756
                                      carboxylic acid 20776
                                        monocarboxylic acid 19753
                                          acetic acid 10902
                                            acetate ester 3275
                                              clerodin 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.