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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:alpha-santonin
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Accession:CHEBI:16363 term browser browse the term
Definition:A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9.
Synonyms:exact_synonym: (3S,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
 related_synonym: (-)-Santonin;   (11S)-6alpha-hydroxy-3-oxoeudesma-1,4-dien-12-oic acid gamma-lactone;   6alpha-hydroxy-3-oxo-11-epiisoeusantona-1,4-dienic acid gamma-lactone;   Formula=C15H18O3;   InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1;   InChIKey=XJHDMGJURBVLLE-BOCCBSBMSA-N;   SMILES=[H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@H]2C;   Santoninic anhydride
 alt_id: CHEBI:10331;   CHEBI:12342;   CHEBI:22468;   CHEBI:26603
 xref: Beilstein:89489;   CAS:481-06-1;   KEGG:C02206;   KEGG:D00154;   KNApSAcK:C00003364;   LINCS:LSM-6627;   LIPID_MAPS_instance:LMPR0103190001
 xref_mesh: MESH:D012500
 xref: MetaCyc:ALPHA-SANTONIN;   PMID:11098821;   PMID:15241928;   PMID:2185125;   Reaxys:89489;   Wikipedia:Santonin

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  CHEBI ontology 0
    role 0
      biological role 0
        antimicrobial agent 0
          antifungal agent 0
            botanical anti-fungal agent 0
              alpha-santonin 0
                1,2-dihydro-alpha-santonin 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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        terpene lactone 0
                                          sesquiterpene lactone 0
                                            santonin 0
                                              alpha-santonin 0
                                                1,2-dihydro-alpha-santonin 0
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