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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:ascofuranol(1-)
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Accession:CHEBI:146159 term browser browse the term
Definition:A phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.
Synonyms:related_synonym: Formula=C23H30ClO5;   InChI=1S/C23H31ClO5/c1-13(7-6-8-14(2)18-11-19(26)23(4,5)29-18)9-10-16-21(27)17(12-25)15(3)20(24)22(16)28/h8-9,12,18-19,26-28H,6-7,10-11H2,1-5H3/p-1/b13-9+,14-8+/t18?,19-/m0/s1;   InChIKey=YHXSUSPTGLHIRR-UZFWGDPLSA-M;   SMILES=C=1(C(=C(C(=C(C1Cl)C)C=O)O)C/C=C(/CC/C=C(\\C)/[C@@]2(C[C@@H](C(O2)(C)C)O)[H])\\C)[O-];   ascofuranol
 xref: PMID:30952781
 cyclic_relationship: is_conjugate_base_of CHEBI:146279



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19832
    chemical entity 19830
      molecular entity 19830
        ion 16710
          anion 16087
            organic anion 3613
              phenolate anion 22
                ascofuranol(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19832
    subatomic particle 19830
      composite particle 19830
        hadron 19830
          baryon 19830
            nucleon 19830
              atomic nucleus 19830
                atom 19830
                  main group element atom 19780
                    p-block element atom 19780
                      p-block molecular entity 19780
                        carbon group molecular entity 19729
                          organic molecular entity 19725
                            organic ion 9870
                              organic anion 3613
                                phenolate anion 22
                                  ascofuranol(1-) 0
paths to the root