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(1S,5S,6R)-alpha-bergamotene

Properties

Image

Occurences in reactions

MNX_ID

MNXM1373802

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

YMBFCQPIMVLNIU-SOUVJXGZSA-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/t13-,14-,15+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62756 chebi:62756	(1S,5S,6R)-alpha-bergamotene (-)-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
kegg.compound:C20811 keggC:C20811	(-)-exo-alpha-Bergamotene trans-alpha-Bergamotene
seed.compound:cpd23856 seedM:cpd23856	(-)-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
keggC:M_C20811 seedM:M_cpd23856	secondary/obsolete/fantasy identifier