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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:tephrocandidin B
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Accession:CHEBI:67344 term browser browse the term
Definition:A monomethoxyflavanone that is (2S)-flavanone substituted by a methoxy group at position 5, hydroxy groups at positions 7 and 4' and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 8. It has been isolated from the aerial parts of Tephrosia candida.
Synonyms:exact_synonym: (2S)-7-hydroxy-8-[(1Z)-3-hydroxy-3-methylbut-1-en-1-yl]-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydro-4H-chromen-4-one
 related_synonym: Formula=C21H22O6;   InChI=1S/C21H22O6/c1-21(2,25)9-8-14-15(23)10-18(26-3)19-16(24)11-17(27-20(14)19)12-4-6-13(22)7-5-12/h4-10,17,22-23,25H,11H2,1-3H3/b9-8-/t17-/m0/s1;   InChIKey=UQJDHMKAJSKDGS-JJEJIETFSA-N;   SMILES=COc1cc(O)c(\\C=C/C(C)(C)O)c2O[C@@H](CC(=O)c12)c1ccc(O)cc1
 xref: PMID:21510635;   Reaxys:21534248


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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            tephrocandidin B 0
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  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
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        flavonoid 0
                                          flavans 0
                                            flavanones 0
                                              hydroxyflavanone 0
                                                4'-hydroxyflavanones 0
                                                  tephrocandidin B 0
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