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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:(+)-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;   PMID:16597711;   PMID:18981616;   PMID:21622626;   PMID:22752007;   PMID:27444012;   Reaxys:7388976


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        aetiopathogenetic role 18951
          genotoxin 16984
            catechol 1358
              (+)-sesamin monocatechol 0
                (+)-sesamin dicatechol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic aromatic compound 19146
                                  phenols 18144
                                    benzenediols 6027
                                      catechols 3165
                                        catechol 1358
                                          (+)-sesamin monocatechol 0
                                            (+)-sesamin dicatechol 0
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