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ONTOLOGY REPORT - ANNOTATIONS


Term:caryoptin
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Accession:CHEBI:3443 term browser browse the term
Definition:A diterpenoid isolated from Caryopteris divaricata.
Synonyms:exact_synonym: (1R,2S,4aS,5R,6S,8R,8aS)-8a-[(acetyloxy)methyl]-5,6-dimethyl-5-[(2R,3aR,6aR)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]octahydro-2H-spiro[naphthalene-1,2'-oxirane]-2,8-diyl diacetate
 related_synonym: Formula=C26H36O9;   InChI=1S/C26H36O9/c1-14-10-22(34-17(4)29)25(12-31-15(2)27)19(6-7-20(33-16(3)28)26(25)13-32-26)24(14,5)21-11-18-8-9-30-23(18)35-21/h8-9,14,18-23H,6-7,10-13H2,1-5H3/t14-,18-,19-,20-,21+,22+,23+,24+,25+,26+/m0/s1;   InChIKey=QVORLEZTALRJNW-JYGGJEPESA-N;   SMILES=C[C@H]1C[C@@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@]1(C)[C@H]1C[C@@H]2C=CO[C@@H]2O1
 xref: CAS:50645-63-1 "KEGG COMPOUND";   KEGG:C09070;   KNApSAcK:C00003411;   Reaxys:1336428 "Reaxys"


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  CHEBI ontology 19748
    role 19695
      application 19350
        food additive 14608
          food acidity regulator 11545
            acetic acid 10650
              acetate ester 3374
                caryoptin 0
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  CHEBI ontology 19748
    subatomic particle 19744
      composite particle 19744
        hadron 19744
          baryon 19744
            nucleon 19744
              atomic nucleus 19744
                atom 19744
                  main group element atom 19628
                    p-block element atom 19628
                      carbon group element atom 19522
                        carbon atom 19516
                          organic molecular entity 19516
                            organic group 18426
                              organic divalent group 18418
                                organodiyl group 18418
                                  carbonyl group 18306
                                    carbonyl compound 18306
                                      carboxylic acid 17973
                                        monocarboxylic acid 17268
                                          acetic acid 10650
                                            acetate ester 3374
                                              caryoptin 0
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