CHEBI:189254 - 4-Pentylphenylacetylene

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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-Pentylphenylacetylene
ChEBI ID CHEBI:189254
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H16
Net Charge 0
Average Mass 172.271
Monoisotopic Mass 172.12520
InChI InChI=1S/C13H16/c1-3-5-6-7-13-10-8-12(4-2)9-11-13/h2,8-11H,3,5-7H2,1H3
InChIKey APGNXGIUUTWIRE-UHFFFAOYSA-N
SMILES C(CCC)CC1=CC=C(C=C1)C#C
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Pentylphenylacetylene (CHEBI:189254) is a benzenes (CHEBI:22712)
IUPAC Name
1-ethynyl-4-pentylbenzene
Manual Xref Database
2055502 ChemSpider
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