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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:adlupulone
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Accession:CHEBI:136852 term browser browse the term
Definition:A beta-bitter acid in which the acyl group is specified as 2-methylbutanoyl.
Synonyms:exact_synonym: 3,5-dihydroxy-2-(2-methylbutanoyl)-4,6,6-tris(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one
 related_synonym: Formula=C26H38O4;   InChI=1S/C26H38O4/c1-9-19(8)22(27)21-23(28)20(11-10-16(2)3)24(29)26(25(21)30,14-12-17(4)5)15-13-18(6)7/h10,12-13,19,28-29H,9,11,14-15H2,1-8H3;   InChIKey=QXPOWGXRDUFAQW-UHFFFAOYSA-N;   SMILES=C=1(C(C(C(C(C(CC)C)=O)=C(C1CC=C(C)C)O)=O)(CC=C(C)C)CC=C(C)C)O
 xref: CAS:28374-71-2;   CAS:35049-54-8;   HMDB:HMDB0030140;   KNApSAcK:C00035519;   MetaCyc:CPD-19790;   PMID:17309054;   PMID:22268354;   PMID:23790907;   Reaxys:23790907;   Reaxys:9664493
 cyclic_relationship: is_conjugate_acid_of CHEBI:134352


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    role 19869
      biological role 19867
        biochemical role 19574
          metabolite 19561
            eukaryotic metabolite 19385
              plant metabolite 18006
                beta-bitter acid 5
                  adlupulone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19835
                    p-block element atom 19835
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            organic molecule 19724
                              organic cyclic compound 19514
                                organic aromatic compound 19378
                                  phenols 18678
                                    phenolic donor 602
                                      phloroglucinol 67
                                        2-acylphloroglucinol 5
                                          beta-bitter acid 5
                                            adlupulone 0
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