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alpha-humulene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1365193

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

FAMPSKZZVDUYOS-HRGUGZIWSA-N

InChI

InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+

SMILES

[CH3:1]/[C:13]1=[CH:7]\[CH2:5][CH2:8]/[C:14]([CH3:2])=[CH:10]/[CH2:12][C:15]([CH3:3])([CH3:4])/[CH:11]=[CH:6]/[CH2:9]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:5768 chebi:5768	alpha-humulene (1E,4E,8E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene (1E,4E,8E)-alpha-humulene (1E,4E,8E)-humula-1(11),4,8-triene (E,E,E)-2,6,6,9-tetramethyl-1,4,8-cycloundecatriene Humulene alpha-caryophyllene
seed.compound:cpd06578 seedM:cpd06578	Humulene 2,6,6,9-tetramethyl-1,4,8-cycloundecatriene 2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene alpha-Humulene alpha-humulene humulene
kegg.compound:C09684 keggC:C09684	Humulene alpha-Humulene
hmdb:HMDB0036467	alpha-Humulene (+/-)-alpha-humulene (1E,4E,8E)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene (1E,4E,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene (1E,4E,8E)-a-Humulene (1E,4E,8E)-alpha-humulene (e,e,e)-2,6,6,9-Tetramethyl-1,4,8-cycloundecatriene Humulene a-Caryophyllene a-Humulene alpha-Caryophyllene alpha-caryophyllene alpha-humulene humulene
metacyc.compound:CPD-8233 metacycM:CPD-8233	alpha-humulene 2,6,6,9-tetramethyl-1,4,8-cycloundecatriene 2,6,6,9-tetramethyl-cycloundeca-1,4,8-triene humulene
hmdb:HMDB36467 keggC:M_C09684 seedM:M_cpd06578	secondary/obsolete/fantasy identifier