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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:21-O-acetyl-isomeliandiol
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Accession:CHEBI:231455 term browser browse the term
Synonyms:related_synonym: Formula=C32H50O6;   InChI=1S/C32H50O6/c1-17(33)36-27-18(15-20(37-27)26-29(4,5)38-26)19-9-10-21-30(19,6)13-11-22-31(7)14-12-24(34)28(2,3)23(31)16-25(35)32(21,22)8/h10,18-20,22-27,34-35H,9,11-16H2,1-8H3/t18-,19-,20+,22+,23-,24-,25+,26-,27+,30-,31+,32-/m0/s1;   InChIKey=YKXCXXQWZMJJST-XLPPFTGQSA-N;   SMILES=C1C[C@@H](C([C@]2([C@]1([C@@]3([C@@]([C@@H](C2)O)(C=4[C@@](CC3)([C@@](CC4)([C@@H]5C[C@@H](O[C@H]5OC(C)=O)[C@H]6C(C)(C)O6)[H])C)C)[H])C)[H])(C)C)O
 xref: PMID:36701471


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      molecular entity 19897
        main group molecular entity 19835
          gas molecular entity 18492
            oxirane 11303
              epoxide 11302
                21-O-acetyl-isomeliandiol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19532
                              organochalcogen compound 19293
                                organooxygen compound 19209
                                  carbon oxoacid 18678
                                    carboxylic acid 18675
                                      monocarboxylic acid 18027
                                        acetic acid 11097
                                          acetate ester 4059
                                            21-O-acetyl-isomeliandiol 0
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