**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

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

Properties Image MNX_ID MNXM5349 reference chebi:62756 formula C15H24 global charge 0 mol weight 204.357 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 CC(C)=CCC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2 MNX internals InChI (mnx) InChI=1/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 (mnx) [CH2:1]([CH2:2]/[CH:3]=[C:4](\[CH3:5])[CH3:6])[C@@:7]1([CH3:15])[C@@H:11]2[CH2:9][CH:8]=[C:10]([CH3:13])[C@H:12]1[CH2:14]2

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:62756 chebi:62756 YMBFCQPIMVLNIU-SOUVJXGZSA-N	(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 YMBFCQPIMVLNIU-SOUVJXGZSA-N	(-)-exo-alpha-Bergamotene (1S,5S,6R)-2,6-Dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene trans-alpha-Bergamotene
metacyc.compound:CPD-13396 metacycM:CPD-13396 seed.compound:cpd23856 seedM:cpd23856 YMBFCQPIMVLNIU-SOUVJXGZSA-N	(-)-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