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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:Silymonin
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Accession:CHEBI:172698 term browser browse the term
Synonyms:exact_synonym: (1R,3R,6R,7R,10R)-8-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-4-oxatricyclo[4.3.1.03,7]dec-8-en-2-one
 related_synonym: Formula=C25H22O9;   InChI=1S/C25H22O9/c1-32-19-4-10(2-3-15(19)27)21-13-7-12(23-14(21)9-33-25(23,31)24(13)30)18-8-17(29)22-16(28)5-11(26)6-20(22)34-18/h2-7,13-14,18,21,23,26-28,31H,8-9H2,1H3/t13-,14-,18+,21+,23+,25-/m1/s1;   InChIKey=YBGWTZSEYYMFJI-AXUSBXICSA-N;   SMILES=O1[C@]2(O)[C@@]3([C@@]([C@H]([C@](C2=O)(C=C3[C@]4(OC=5C(C(=O)C4)=C(O)C=C(O)C5)[H])[H])C6=CC(OC)=C(O)C=C6)(C1)[H])[H]
 xref: CAS:70815-31-5;   Chemspider:57530611

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  CHEBI ontology 0
    role 0
      chemical role 0
        environmental contaminant 0
          benzene 0
            alkylbenzene 0
              Silymonin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  cyclic hydrocarbon 0
                                    monocyclic hydrocarbon 0
                                      annulene 0
                                        aromatic annulene 0
                                          benzene 0
                                            alkylbenzene 0
                                              Silymonin 0
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