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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:1-isopentyl-2,3,4,6-tetramethylbenzene
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Accession:CHEBI:131433 term browser browse the term
Definition:An alkylbenzene that is 1-isopentylbenzene carrying four additional methyl substituents at position 2, 3, 4 and 6.
Synonyms:exact_synonym: 1,2,3,5-tetramethyl-4-(3-methylbutyl)benzene
 related_synonym: 1-(3-methylbutyl)-2,3,4,6-tetramethylbenzene;   Formula=C15H24;   InChI=1S/C15H24/c1-10(2)7-8-15-12(4)9-11(3)13(5)14(15)6/h9-10H,7-8H2,1-6H3;   InChIKey=RVNTZDGMIQFQJI-UHFFFAOYSA-N;   SMILES=C(CC=1C(=C(C(=CC1C)C)C)C)C(C)C
 xref: Chemspider:513113;   Reaxys:6190868


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Path 1
Term Annotations click to browse term
  CHEBI ontology 24775
    role 24693
      chemical role 22996
        environmental contaminant 20077
          benzene 6001
            alkylbenzene 3497
              1-isopentyl-2,3,4,6-tetramethylbenzene 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24775
    subatomic particle 24735
      composite particle 24735
        hadron 24735
          baryon 24735
            nucleon 24735
              atomic nucleus 24735
                atom 24735
                  main group element atom 24601
                    main group molecular entity 24601
                      s-block molecular entity 23907
                        hydrogen molecular entity 23745
                          hydrides 21962
                            organic hydride 21455
                              organic fundamental parent 21455
                                hydrocarbon 21134
                                  cyclic hydrocarbon 19952
                                    monocyclic hydrocarbon 6172
                                      annulene 6001
                                        aromatic annulene 6001
                                          benzene 6001
                                            alkylbenzene 3497
                                              1-isopentyl-2,3,4,6-tetramethylbenzene 0
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