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

PropertiesImage
MNX_IDMNXM5349 Image of MNXM5349
referencechebi:62756
formulaC15H24
global charge0
mol weight204.357
InChIKeyYMBFCQPIMVLNIU-SOUVJXGZSA-N
InChIInChI=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
SMILESCC(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 Image of MNXM5349
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

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