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ONTOLOGY REPORT - ANNOTATIONS


Term:betavulgarin
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Accession:CHEBI:3081 term browser browse the term
Definition:A hydroxyisoflavone that is isoflavone substituted by a hydroxy group at position 2', a methoxy group at position 5 and a methylenedioxy group across positions 6 and 7 respectively.
Synonyms:exact_synonym: 7-(2-hydroxyphenyl)-9-methoxy-2H,8H-[1,3]dioxolo[4,5-g][1]benzopyran-8-one
 related_synonym: 2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone;   Formula=C17H12O6;   InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3;   InChIKey=NDVRQFZUJRMKKP-UHFFFAOYSA-N;   SMILES=COc1c2OCOc2cc2occ(-c3ccccc3O)c(=O)c12
 xref: CAS:51068-94-1 "KEGG COMPOUND";   KEGG:C10201;   KNApSAcK:C00002509;   LIPID_MAPS_instance:LMPK12050361 "LIPID MAPS";   PMID:18472117 "Europe PMC";   PMID:7765684 "Europe PMC";   Reaxys:1266639 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19745
    role 19692
      biological role 19690
        biochemical role 19188
          metabolite 19159
            eukaryotic metabolite 18776
              plant metabolite 17116
                betavulgarin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19745
    subatomic particle 19741
      composite particle 19741
        hadron 19741
          baryon 19741
            nucleon 19741
              atomic nucleus 19741
                atom 19741
                  main group element atom 19625
                    p-block element atom 19625
                      carbon group element atom 19519
                        carbon atom 19513
                          organic molecular entity 19513
                            organic group 18424
                              organic divalent group 18416
                                organodiyl group 18416
                                  carbonyl group 18304
                                    carbonyl compound 18304
                                      ketone 15918
                                        cyclic ketone 13354
                                          isoflavones 2620
                                            isoflavone 239
                                              betavulgarin 0
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