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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:arugosin C
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Accession:CHEBI:68860 term browser browse the term
Definition:An organic heterotetracyclic compound that is 1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one substituted by a hydroxy group at position 8, a 2-hydroxypropan-2-yl group at position 1, a methyl group at position 4 and a prenyl group at position 9. Isolated from Aspergillus, it exhibits inhibitory activity against hepatitis C protease.
Synonyms:exact_synonym: 6,8-dihydroxy-1-(2-hydroxypropan-2-yl)-4-methyl-9-(3-methylbut-2-en-1-yl)-1,12a-dihydrochromeno[4,5-bc][1]benzoxepin-7(2H)-one
 related_synonym: 1,12a-dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methylbut-2-enyl)(1)benzopyrano(4,5-bc)(1)benzoxepin-7(2H)-one;   Formula=C25H28O6;   InChI=1S/C25H28O6/c1-12(2)6-7-14-8-9-17-19(21(14)27)22(28)18-16(26)10-13(3)23-20(18)24(31-17)15(11-30-23)25(4,5)29/h6,8-10,15,24,26-27,29H,7,11H2,1-5H3;   InChIKey=MYJGUMZTENHAAQ-UHFFFAOYSA-N;   SMILES=CC(C)=CCc1ccc2OC3C(COc4c(C)cc(O)c(C(=O)c2c1O)c34)C(C)(C)O
 xref: CAS:50875-10-0;   PMID:22573241;   PMID:23139125;   PMID:4796651;   Reaxys:1606432


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Term Annotations click to browse term
  CHEBI ontology 19890
    role 19839
      biological role 19858
        biochemical role 19566
          metabolite 19533
            eukaryotic metabolite 19358
              fungal metabolite 17947
                Aspergillus metabolite 3741
                  arugosin C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19890
    subatomic particle 19867
      composite particle 19888
        hadron 19888
          baryon 19888
            nucleon 19867
              atomic nucleus 19888
                atom 19888
                  main group element atom 19806
                    p-block element atom 19806
                      carbon group element atom 19746
                        carbon atom 19743
                          organic molecular entity 19743
                            heteroorganic entity 19502
                              organochalcogen compound 19264
                                organooxygen compound 19180
                                  carbonyl compound 18920
                                    ketone 17269
                                      cyclic ketone 15901
                                        arugosin C 0
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