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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:baicalin
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Accession:CHEBI:2981 term browser browse the term
Definition:The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis.
Synonyms:exact_synonym: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
 related_synonym: 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide;   5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid;   7-D-glucuronic acid-5,6-dihydroxyflavone;   Formula=C21H18O11;   InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1;   InChIKey=IKIIZLYTISPENI-ZFORQUDYSA-N;   SMILES=O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([C@H]1O)C(O)=O;   baicalein 7-O-glucuronide;   baicalein 7-glucuronide
 xref: Beilstein:70480;   CAS:21967-41-9;   Drug_Central:4055;   HMDB:HMDB0041832;   KEGG:C10025;   KNApSAcK:C00001024;   LIPID_MAPS_instance:LMPK12111081
 xref_mesh: MESH:C038044
 xref: MetaCyc:CPD-12725;   PDBeChem:0XE;   PMCID:PMC8165801;   PMID:10724177;   PMID:18650094;   PMID:21087019;   PMID:22467027;   PMID:23142347;   PMID:23302221;   PMID:23354080;   PMID:23523628;   PMID:25847243;   PMID:32707128;   PMID:32795339;   PMID:33008383;   PMID:33224035;   PMID:33269624;   PMID:33352232;   PMID:33493657;   PMID:33595821;   PMID:33652818;   PMID:33732310;   PMID:33781030;   PMID:33801847;   PMID:33815110;   PMID:33891262;   PMID:33921971;   PMID:33923637;   PMID:33935719;   PMID:33955315;   PMID:33992597;   PMID:34029124;   PMID:34044073;   PMID:34053448;   Patent:CN102584918;   Patent:WO2012119458;   Reaxys:70480;   Wikipedia:Baicalin
 cyclic_relationship: is_conjugate_acid_of CHEBI:61283


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  CHEBI ontology 499
    role 499
      chemical role 425
        antioxidant 43
          baicalin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            organic molecule 471
                              organic cyclic compound 454
                                organic heterocyclic compound 417
                                  oxacycle 69
                                    benzopyran 28
                                      1-benzopyran 19
                                        flavonoid 12
                                          anthoxanthin 11
                                            flavones 11
                                              hydroxyflavone 11
                                                trihydroxyflavone 0
                                                  baicalein 0
                                                    baicalin 0
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