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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:schizolaenone B
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Accession:CHEBI:66434 term browser browse the term
Definition:A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 4' and 5', a geranyl group at position 3' and a prenyl group at position 6. Isolated from Schizolaena hystrix, it exhibits cytotoxicity against ovarian cancer cell line.
Synonyms:exact_synonym: (2S)-2-{3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,5-dihydroxyphenyl}-5,7-dihydroxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
 related_synonym: (2S)-5,7,3',4'-tetrahydroxy-6-(3-methyl-but-2-enyl)-3'-(geranyl)flavanone;   Formula=C30H36O6;   InChI=1S/C30H36O6/c1-17(2)7-6-8-19(5)10-11-20-13-21(14-25(33)29(20)34)26-16-24(32)28-27(36-26)15-23(31)22(30(28)35)12-9-18(3)4/h7,9-10,13-15,26,31,33-35H,6,8,11-12,16H2,1-5H3/b19-10+/t26-/m0/s1;   InChIKey=LFIGQOMCYZOIQK-XBPZWBIKSA-N;   SMILES=CC(C)=CCC\\C(C)=C\\Cc1cc(cc(O)c1O)[C@@H]1CC(=O)c2c(O1)cc(O)c(CC=C(C)C)c2O
 xref: PMID:15787448;   Reaxys:11068914


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Term Annotations click to browse term
  CHEBI ontology 26041
    role 25957
      biological role 25936
        biochemical role 25170
          metabolite 25100
            schizolaenone B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            organic molecule 25228
                              organic cyclic compound 24281
                                organic heterocyclic compound 22324
                                  oxacycle 19999
                                    benzopyran 12753
                                      1-benzopyran 12488
                                        flavonoid 7605
                                          flavans 3891
                                            flavanones 571
                                              hydroxyflavanone 558
                                                4'-hydroxyflavanones 375
                                                  schizolaenone B 0
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