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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:23-acetoxy-12-epi-deoxoscalarin
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Accession:CHEBI:68042 term browser browse the term
Definition:A scalarane sesterterpenoid that is 12-epi-deoxoscalarin with an additional acetoxy group at position 23. It has been isolated from the sponge, Hyattella species.
Synonyms:exact_synonym: rel[(1R,5aS,5bR,7aS,11aR,11bS,13R,13aS,13bS)-13-(acetyloxy)-1-hydroxy-5b,8,8,13a-tetramethyl-1,5,5a,5b,6,7,7a,8,9,10,11,11b,12,13,13a,13b-hexadecahydrochryseno[1,2-c]furan-11a(3H)-yl]methyl acetate
 related_synonym: Formula=C29H44O6;   InChI=1S/C29H44O6/c1-17(30)34-16-29-12-7-11-26(3,4)20(29)10-13-27(5)21-9-8-19-15-33-25(32)24(19)28(21,6)23(14-22(27)29)35-18(2)31/h8,20-25,32H,7,9-16H2,1-6H3/t20-,21-,22-,23+,24+,25+,27-,28+,29+/m0/s1;   InChIKey=KUKXABQOPRSQOW-IQVVWXMOSA-N;   SMILES=CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)[C@@H]3CC=C4CO[C@@H](O)[C@@H]4[C@@]3(C)[C@@H](C[C@H]21)OC(C)=O
 xref: PMID:21341710;   Reaxys:21448570


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        food additive 15062
          food acidity regulator 11726
            acetic acid 10856
              acetate ester 3877
                23-acetoxy-12-epi-deoxoscalarin 0
                  23-acetoxy-12-O-deacetyl-12-epi-deoxoscalarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic group 18631
                              organic divalent group 18622
                                organodiyl group 18622
                                  carbonyl group 18537
                                    carbonyl compound 18537
                                      carboxylic acid 18215
                                        monocarboxylic acid 17609
                                          acetic acid 10856
                                            acetate ester 3877
                                              12-epi-deoxoscalarin 0
                                                23-acetoxy-12-epi-deoxoscalarin 0
                                                  23-acetoxy-12-O-deacetyl-12-epi-deoxoscalarin 0
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