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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:lonchocarpenin
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Accession:CHEBI:6521 term browser browse the term
Definition:A hydroxycoumarin that is 2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one substituted by a hydroxy group at position 4, a methoxy group at position 5, 4-methoxyphenyl group at position 3 and two methyl groups at position 8 respectively.
Synonyms:exact_synonym: 4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
 related_synonym: Formula=C27H28O6;   InChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3;   InChIKey=CCYKXDPVYWRNMH-UHFFFAOYSA-N;   SMILES=COc1ccc(cc1)-c1c(O)c2c(OC)c3C=CC(C)(C)Oc3c(CC=C(C)C)c2oc1=O
 xref: CAS:22263-56-5;   KEGG:C10491;   KNApSAcK:C00002543;   PMID:24079177;   PMID:24705564;   Reaxys:27068675

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  CHEBI ontology 2
    role 2
      biological role 2
        antimicrobial agent 1
          antimicrobial drug 0
            antiprotozoal drug 0
              lonchocarpenin 0
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  CHEBI ontology 2
    subatomic particle 2
      composite particle 2
        hadron 2
          baryon 2
            nucleon 2
              atomic nucleus 2
                atom 2
                  main group element atom 2
                    p-block element atom 2
                      carbon group element atom 2
                        carbon atom 2
                          organic molecular entity 2
                            organic molecule 2
                              organic cyclic compound 2
                                organic heterocyclic compound 2
                                  oxacycle 0
                                    benzopyran 0
                                      1-benzopyran 0
                                        chromenes 0
                                          chromenone 0
                                            coumarins 0
                                              hydroxycoumarin 0
                                                lonchocarpenin 0
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