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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:sesaminol
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Accession:CHEBI:145778 term browser browse the term
Definition:A furofuran that is cis-tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 6-hydroxy-1,3-benzodioxol-5-yl group at position 1S and a 1,3-benzodioxol-5-yl group at position 4S. It is metabolite found in sesame seeds.
Synonyms:exact_synonym: 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol
 related_synonym: (1S-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol;   Formula=C20H18O7;   InChI=1S/C20H18O7/c21-14-5-18-17(26-9-27-18)4-11(14)20-13-7-22-19(12(13)6-23-20)10-1-2-15-16(3-10)25-8-24-15/h1-5,12-13,19-21H,6-9H2/t12-,13-,19+,20+/m0/s1;   InChIKey=KQRXQIPRDKVZPW-ISZNXKAUSA-N;   SMILES=C1[C@@]2([H])[C@@](CO[C@@H]2C=3C=CC4=C(C3)OCO4)([H])[C@H](O1)C5=CC6=C(C=C5O)OCO6;   justisolin
 xref: CAS:74061-79-3;   FooDB:FDB018404;   HMDB:HMDB0038932;   MetaCyc:CPD-14837;   PMID:18248594;   PMID:19561332;   PMID:19824636;   PMID:21384919;   PMID:22894606;   PMID:23280945;   PMID:25403159;   PMID:28368390;   PMID:31654577


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  CHEBI ontology 19762
    role 19708
      chemical role 19254
        antioxidant 14376
          sesaminol 0
            sesaminol 2-O-beta-D-gentiobioside 0
            sesaminol 2-O-beta-D-glucoside 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    p-block element atom 19651
                      carbon group element atom 19570
                        carbon atom 19560
                          organic molecular entity 19560
                            organic molecule 19493
                              organic cyclic compound 19322
                                organic heterocyclic compound 18554
                                  organic heteropolycyclic compound 18048
                                    organic heterobicyclic compound 16841
                                      benzodioxoles 7840
                                        sesaminol 0
                                          sesaminol 2-O-beta-D-gentiobioside 0
                                          sesaminol 2-O-beta-D-glucoside 0
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