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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:pseudobaptigenin
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Accession:CHEBI:8602 term browser browse the term
Definition:A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group.
Synonyms:exact_synonym: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-chromen-4-one
 related_synonym: 3-(1,3-benzodioxol-5-yl)-7-hydroxy-4H-1-benzopyran-4-one;   7-hydroxy-3',4'-(methylenedioxy)isoflavone;   Formula=C16H10O5;   InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2;   InChIKey=KNJNBKINYHZUGC-UHFFFAOYSA-N;   SMILES=Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O;   pseudobaptisin aglycone;   psi-baptigenin
 xref: CAS:90-29-9;   CBA:290566;   HMDB:HMDB0036616;   KEGG:C10522;   KNApSAcK:C00002565;   LIPID_MAPS_instance:LMPK12050053;   MetaCyc:CPD-3628;   PMID:15283457;   PMID:16413562;   PMID:23265844;   Patent:WO9949862;   Reaxys:290453;   Wikipedia:Pseudobaptigenin
 cyclic_relationship: is_conjugate_acid_of CHEBI:78327


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        antimicrobial agent 19567
          antimicrobial drug 9894
            antiprotozoal drug 7452
              pseudobaptigenin 0
                2',7-dihydroxy-4',5'-methylenedioxyisoflavone 0
                5-hydroxypseudobaptigenin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            organic molecule 21662
                              organic cyclic compound 21269
                                organic heterocyclic compound 20342
                                  oxacycle 18841
                                    benzopyran 12214
                                      1-benzopyran 11971
                                        isoflavonoid 4011
                                          isoflavones 3992
                                            hydroxyisoflavone 3927
                                              7-hydroxyisoflavones 3904
                                                pseudobaptigenin 0
                                                  2',7-dihydroxy-4',5'-methylenedioxyisoflavone 0
                                                  5-hydroxypseudobaptigenin 0
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