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alpha-bergamotene

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1374717

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

YMBFCQPIMVLNIU-UHFFFAOYSA-N

InChI

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

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62755 chebi:62755	alpha-bergamotene 2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
metacyc.compound:CPD-8849 metacycM:CPD-8849	(-)-endo-alpha-bergamotene (?)-cis-alpha-bergamotene
metacyc.compound:CPD-13396 metacycM:CPD-13396	(-)-exo-alpha-bergamotene (-)-trans-alpha-bergamotene (1S,5S,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene (E)-alpha-bergamotene exo-alpha-bergamotene trans-alpha-bergamotene
seed.compound:cpd17344 seedM:cpd17344 kegg.compound:C17088 keggC:C17088	alpha-Bergamotene
keggC:M_C17088 seedM:M_cpd17344	secondary/obsolete/fantasy identifier