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ONTOLOGY REPORT - ANNOTATIONS


Term:(+)-sesamin monocatechol
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Accession:CHEBI:136542 term browser browse the term
Definition:A catechol resulting from the hydrolysis of one of the two methylene acetal groups in (+)-sesamin. Found as a product of (+)-sesamin in rat liver homogenate and also produced from sesamin by an enzyme (SesA) found in Sinomonas species. no. 22 growing on sesamin.
Synonyms:exact_synonym: 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]benzene-1,2-diol
 related_synonym: (1R,2S,5R,6S)-6-(3,4-dihydroxyphenyl)-2-(3,4-methylenedioxyphenyl)-3,7-dioxabicyclo[3,3,0]octane;   Formula=C19H18O6;   InChI=1S/C19H18O6/c20-14-3-1-10(5-15(14)21)18-12-7-23-19(13(12)8-22-18)11-2-4-16-17(6-11)25-9-24-16/h1-6,12-13,18-21H,7-9H2/t12-,13-,18+,19+/m0/s1;   InChIKey=CGEORJKFOZSMEZ-MBZVMHRFSA-N;   SC-1;   SMILES=C1=C2OCOC2=CC(=C1)[C@]3(OC[C@]4([C@@]3(CO[C@@]4(C5=CC=C(C(=C5)O)O)[H])[H])[H])[H]
 xref: MetaCyc:CPD-19800;   PMID:12617602 "Europe PMC";   PMID:16597711 "Europe PMC";   PMID:18981616 "Europe PMC";   PMID:21622626 "Europe PMC";   PMID:22752007 "Europe PMC";   PMID:27444012 "SUBMITTER";   Reaxys:7388976 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 23806
    role 23693
      biological role 23656
        aetiopathogenetic role 22262
          genotoxin 17660
            catechol 309
              (+)-sesamin monocatechol 0
                (+)-sesamin dicatechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23806
    subatomic particle 23757
      composite particle 23757
        hadron 23757
          baryon 23757
            nucleon 23757
              atomic nucleus 23757
                atom 23757
                  main group element atom 23576
                    p-block element atom 23576
                      carbon group element atom 23289
                        carbon atom 23243
                          organic molecular entity 23243
                            organic molecule 23107
                              organic cyclic compound 22098
                                organic aromatic compound 21658
                                  phenols 18956
                                    benzenediols 5554
                                      catechols 2272
                                        catechol 309
                                          (+)-sesamin monocatechol 0
                                            (+)-sesamin dicatechol 0
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