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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:Nigrospoxydon C
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Accession:CHEBI:217988 term browser browse the term
Synonyms:exact_synonym: [(1R,5R,6S)-5,6-dihydroxy-3-(hydroxymethyl)-2-oxocyclohex-3-en-1-yl] 3-hydroxybenzoate
 related_synonym: Formula=C14H14O7;   InChI=1S/C14H14O7/c15-6-8-5-10(17)12(19)13(11(8)18)21-14(20)7-2-1-3-9(16)4-7/h1-5,10,12-13,15-17,19H,6H2/t10-,12+,13+/m1/s1;   InChIKey=SNBAWTHXVVSPPU-WXHSDQCUSA-N;   SMILES=O=C1C(=C[C@@H](O)[C@@H]([C@H]1OC(=O)C2=CC(O)=CC=C2)O)CO
 xref: Chemspider:24709739


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 26040
    chemical entity 26019
      molecular entity 25997
        polyatomic entity 25882
          heteroatomic molecular entity 25533
            hydroxides 24053
              organic hydroxy compound 22062
                phenols 21095
                  Nigrospoxydon C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26040
    subatomic particle 26015
      composite particle 26015
        hadron 26015
          baryon 26015
            nucleon 26015
              atomic nucleus 26015
                atom 26015
                  main group element atom 25840
                    p-block element atom 25840
                      carbon group element atom 25437
                        carbon atom 25395
                          organic molecular entity 25395
                            heteroorganic entity 24770
                              organochalcogen compound 24383
                                organooxygen compound 24060
                                  carbon oxoacid 22761
                                    carboxylic acid 22741
                                      aromatic carboxylic acid 13389
                                        benzoic acids 13363
                                          benzoate ester 5853
                                            Nigrospoxydon C 0
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