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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:Marrubiin
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Accession:CHEBI:6696 term browser browse the term
Definition:A gamma-lactone that has formula C20H28O4.
Synonyms:related_synonym: Formula=C20H28O4;   InChI=1S/C20H28O4/c1-13-11-15-16-18(2,17(21)24-15)7-4-8-19(16,3)20(13,22)9-5-14-6-10-23-12-14/h6,10,12-13,15-16,22H,4-5,7-9,11H2,1-3H3/t13-,15-,16+,18+,19+,20-/m1/s1;   InChIKey=HQLLRHCTVDVUJB-OBHOOXMTSA-N;   SMILES=C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1
 xref: CAS:465-92-9;   KEGG:C09128;   KNApSAcK:C00003452
 xref_mesh: MESH:C105731


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Marrubiin term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2c6 cytochrome P450, family 2, subfamily C, polypeptide 6 increases metabolic processing ISO CYP2C19 protein results in increased metabolism of marrubiin CTD PMID:34431289 NCBI chr 1:237,938,521...237,976,238
Ensembl chr 1:237,693,094...238,057,596 		JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 increases metabolic processing ISO CYP3A4 protein results in increased metabolism of marrubiin CTD PMID:34431289 NCBI chr12:9,207,978...9,230,064
Ensembl chr12:9,015,383...9,285,008 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19808
    chemical entity 19806
      group 19765
        inorganic group 19360
          oxo group 18869
            organic oxo compound 18869
              carbonyl compound 18869
                carboxylic ester 16714
                  lactone 13224
                    gamma-lactone 6851
                      Marrubiin 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19808
    subatomic particle 19806
      composite particle 19806
        hadron 19806
          baryon 19806
            nucleon 19806
              atomic nucleus 19806
                atom 19806
                  main group element atom 19756
                    p-block element atom 19756
                      carbon group element atom 19705
                        carbon atom 19702
                          organic molecular entity 19702
                            heteroorganic entity 19460
                              organochalcogen compound 19224
                                organooxygen compound 19141
                                  ester 17332
                                    carboxylic ester 16714
                                      lactone 13224
                                        gamma-lactone 6851
                                          Marrubiin 2
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