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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        main group molecular entity 0
          gas molecular entity 0
            oxirane 0
              epoxide 0
                21-O-acetyl-isomeliandiol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbon oxoacid 0
                                    carboxylic acid 0
                                      monocarboxylic acid 0
                                        acetic acid 0
                                          acetate ester 0
                                            21-O-acetyl-isomeliandiol 0
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