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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:2-naphthol AS BI-beta-D-glucuronide
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Accession:CHEBI:90145 term browser browse the term
Definition:A beta-D-glucosiduronic acid having a 6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl substituent at the anomeric position.
Synonyms:exact_synonym: 6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl beta-D-glucopyranosiduronic acid
 related_synonym: Formula=C24H22BrNO9;   InChI=1S/C24H22BrNO9/c1-33-16-5-3-2-4-15(16)26-22(30)14-9-12-8-13(25)7-6-11(12)10-17(14)34-24-20(29)18(27)19(28)21(35-24)23(31)32/h2-10,18-21,24,27-29H,1H3,(H,26,30)(H,31,32)/t18-,19-,20+,21-,24+/m0/s1;   InChIKey=ACOOAEDFQKSZTC-NABGWTBKSA-N;   SMILES=[C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)C(O)=O)O)O)OC=2C(=CC=3C=C(C=CC3C2)Br)C(=O)NC=4C(=CC=CC4)OC;   beta-D-glucuronosyl-2-naphthol AS BI;   beta-D-glucuronosylnaphthol AS BI
 xref: Reaxys:6883214


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  CHEBI ontology 19883
    chemical entity 19883
      molecular entity 19880
        polyatomic entity 19794
          heteroatomic molecular entity 19719
            halide 18134
              organohalogen compound 17882
                organobromine compound 5481
                  2-naphthol AS BI-beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            organic group 18580
                              organic divalent group 18571
                                organodiyl group 18571
                                  carbonyl group 18479
                                    carbonyl compound 18479
                                      carboxylic acid 18153
                                        carboacyl group 17410
                                          univalent carboacyl group 17410
                                            carbamoyl group 17192
                                              carboxamide 17192
                                                monocarboxylic acid amide 14620
                                                  arenecarboxamide 6541
                                                    naphthalenecarboxamide 3
                                                      2-naphthol AS BI-beta-D-glucuronide 0
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