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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:sophoraisoflavanone A
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Accession:CHEBI:27494 term browser browse the term
Definition:A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy substituent at position 2' and a prenyl group at position 3'.
Synonyms:exact_synonym: 5,7-dihydroxy-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-2,3,4a,8a-tetrahydro-4H-chromen-4-one
 related_synonym: Formula=C21H24O6;   InChI=1S/C21H24O6/c1-11(2)4-5-14-16(23)7-6-13(21(14)26-3)15-10-27-18-9-12(22)8-17(24)19(18)20(15)25/h4,6-9,15,18-19,22-24H,5,10H2,1-3H3;   InChIKey=GBQGFJSECZVLKZ-UHFFFAOYSA-N;   SMILES=COc1c(ccc(O)c1CC=C(C)C)C1COC2C=C(O)C=C(O)C2C1=O
 alt_id: CHEBI:26722;   CHEBI:9197
 xref: CAS:69573-59-7;   KEGG:C10530;   KNApSAcK:C00002573;   LIPID_MAPS_instance:LMPK12050480;   PMID:11705451;   PMID:15636183;   PMID:17658714;   PMID:19557362;   Reaxys:1667139


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Term Annotations click to browse term
  CHEBI ontology 19817
    role 19767
      biological role 19767
        antimicrobial agent 17377
          sophoraisoflavanone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19817
    subatomic particle 19815
      composite particle 19815
        hadron 19815
          baryon 19815
            nucleon 19815
              atomic nucleus 19815
                atom 19815
                  main group element atom 19705
                    p-block element atom 19705
                      carbon group element atom 19614
                        carbon atom 19603
                          organic molecular entity 19603
                            organic molecule 19532
                              organic cyclic compound 19348
                                organic heterocyclic compound 18475
                                  oxacycle 17289
                                    benzopyran 10155
                                      1-benzopyran 9871
                                        isoflavonoid 3803
                                          isoflavans 220
                                            isoflavanones 184
                                              hydroxyisoflavanone 5
                                                sophoraisoflavanone A 0
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