CHEBI:189569 - 2-Methyl-1,3-cyclohexadiene

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2-Methyl-1,3-cyclohexadiene
ChEBI ID CHEBI:189569
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H10
Net Charge 0
Average Mass 94.157
Monoisotopic Mass 94.07825
InChI InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h3,5-6H,2,4H2,1H3
InChIKey XMWINMVFKPHMJB-UHFFFAOYSA-N
SMILES C1CC=CC(=C1)C
Metabolite of Species Details
Klebsiella pneumoniae (NCBI:txid573) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Methyl-1,3-cyclohexadiene (CHEBI:189569) is a hydrocarbon (CHEBI:24632)
IUPAC Name
2-methylcyclohexa-1,3-diene
Manual Xrefs Databases
66519 ChemSpider
HMDB0032395 HMDB
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Registry Number Type Source
1489-57-2 CAS Registry Number ChemIDplus