5-methyl-1-phenylhexen-3-yn-5-ol (CHEBI:157722)

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CHEBI:157722 - 5-methyl-1-phenylhexen-3-yn-5-ol

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ChEBI ID	CHEBI:157722
ChEBI Name	5-methyl-1-phenylhexen-3-yn-5-ol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H14O
Net Charge	0
Average Mass	186.254
Monoisotopic Mass	186.10447
SMILES	CC(C)(O)C#C/C=C/c1ccccc1
InChI	InChI=1S/C13H14O/c1-13(2,14)11-7-6-10-12-8-4-3-5-9-12/h3-6,8-10,14H,1-2H3/b10-6+
InChIKey	UBWMSPNNSZMLQI-UXBLZVDNSA-N

Species of Metabolite	Component	Source	Comments
Piper methysticum (ncbitaxon:130404)
	stem (BTO:0001300)	MetaboLights (MTBLS1485)	Strain: Piper methysticum cv. Loa Kasa Leka
	lateral root (BTO:0005441)	MetaboLights (MTBLS1485)	Strain: Piper methysticum cv. Loa Kasa Leka
	crown root (PO:0000043)	MetaboLights (MTBLS1485)	Strain: Piper methysticum cv. Loa Kasa Leka

ChEBI Ontology

Outgoing Relation(s)
	5-methyl-1-phenylhexen-3-yn-5-ol (CHEBI:157722) is a styrenes (CHEBI:26799)

IUPAC Name
(E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol

Manual Xrefs	Databases
4516186	ChemSpider