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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:phorbol 12,13-dibutanoate
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Accession:CHEBI:17598 term browser browse the term
Definition:A phorbol ester that has formula C28H40O8.
Synonyms:exact_synonym: (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate
 related_synonym: Formula=C28H40O8;   InChI=1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1;   InChIKey=BQJRUJTZSGYBEZ-YVQNUNKESA-N;   PDBu;   SMILES=[H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCC)[C@]1(OC(=O)CCC)[C@@]2([H])C1(C)C;   phorbol 12,13-dibutyrate
 alt_id: CHEBI:14789;   CHEBI:26015;   CHEBI:8117;   CHEBI:8120
 xref: Beilstein:6551234;   CAS:37558-16-0;   KEGG:C03634
 xref_mesh: MESH:D015240


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      group 5032
        inorganic group 4843
          oxo group 4643
            organic oxo compound 4643
              carbonyl compound 4643
                carboxylic ester 496
                  phorbol ester 11
                    phorbol 12,13-dibutanoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbonyl compound 4643
                                    ketone 4347
                                      oxyketone 4317
                                        alpha-oxyketone 4297
                                          alpha-hydroxy ketone 4297
                                            tertiary alpha-hydroxy ketone 23
                                              phorbol 11
                                                phorbol ester 11
                                                  phorbol 12,13-dibutanoate 0
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