CHEBI:167072 - 4-Methyl-1,3-heptadiene

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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 4-Methyl-1,3-heptadiene
ChEBI ID CHEBI:167072
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14
Net Charge 0
Average Mass 110.200
Monoisotopic Mass 110.10955
InChI InChI=1S/C8H14/c1-4-6-8(3)7-5-2/h4,6H,1,5,7H2,2-3H3/b8-6+
InChIKey AHWGKLXMXHPYBI-SOFGYWHQSA-N
SMILES C(CC)/C(/C)=C/C=C
Metabolite of Species Details
Tuber magnatum (NCBI:txid42249) Found in fruit body (BTO:0000487). of strain Tuber magnatum Pico See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Methyl-1,3-heptadiene (CHEBI:167072) is a hydrocarbon (CHEBI:24632)
IUPAC Name
(3E)-4-methylhepta-1,3-diene
Manual Xref Database
4520112 ChemSpider
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Registry Number Type Source
17603-57-5 CAS Registry Number ChemIDplus