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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:3-dimethylallyl-4-hydroxymandelate
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Accession:CHEBI:136890 term browser browse the term
Definition:A hydroxy monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxymandelic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Synonyms:exact_synonym: hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetate
 related_synonym: 4-hydroxy-3-prenylmandelate;   Formula=C13H15O4;   InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17)/p-1;   InChIKey=VBHJEUYYPUPECH-UHFFFAOYSA-M;   SMILES=C=1(C(=CC=C(C1)C(C([O-])=O)O)O)CC=C(C)C
 xref: MetaCyc:CPD-15502;   PMID:12777382
 cyclic_relationship: is_conjugate_base_of CHEBI:31112


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Path 1
Term Annotations click to browse term
  CHEBI ontology 26504
    chemical entity 26484
      molecular entity 26466
        ion 19911
          anion 19265
            organic anion 7408
              carboxylic acid anion 2577
                monocarboxylic acid anion 1676
                  hydroxy monocarboxylic acid anion 80
                    3-dimethylallyl-4-hydroxymandelate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26504
    subatomic particle 26480
      composite particle 26480
        hadron 26480
          baryon 26480
            nucleon 26480
              atomic nucleus 26480
                atom 26480
                  main group element atom 26218
                    p-block element atom 26218
                      carbon group element atom 25663
                        carbon atom 25625
                          organic molecular entity 25625
                            organic ion 12226
                              organic anion 7408
                                carboxylic acid anion 2577
                                  monocarboxylic acid anion 1676
                                    hydroxy monocarboxylic acid anion 80
                                      3-dimethylallyl-4-hydroxymandelate 0
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