CHEBI:87298 - 1,1,5-trimethyl-1,2-dihydronaphthalene

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ChEBI Name 1,1,5-trimethyl-1,2-dihydronaphthalene
ChEBI ID CHEBI:87298
Definition An ortho-fused bicyclic hydrocarbon that is 1,2-dihydronaphthalene substituted by methyl groups at positions 1, 1 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C13H16
Net Charge 0
Average Mass 172.26610
Monoisotopic Mass 172.12520
InChI InChI=1S/C13H16/c1-10-6-4-8-12-11(10)7-5-9-13(12,2)3/h4-8H,9H2,1-3H3
InChIKey HUXNLKAQKLGSAF-UHFFFAOYSA-N
SMILES Cc1cccc2c1C=CCC2(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 1,1,5-trimethyl-1,2-dihydronaphthalene (CHEBI:87298) has parent hydride 1,2-dihydronaphthalene (CHEBI:38142)
1,1,5-trimethyl-1,2-dihydronaphthalene (CHEBI:87298) has role metabolite (CHEBI:25212)
1,1,5-trimethyl-1,2-dihydronaphthalene (CHEBI:87298) is a ortho-fused bicyclic hydrocarbon (CHEBI:35428)
1,1,5-trimethyl-1,2-dihydronaphthalene (CHEBI:87298) is a dihydronaphthalenes (CHEBI:90740)
IUPAC Name
1,1,5-trimethyl-1,2-dihydronaphthalene
Last Modified
08 December 2015