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(+)-(E)-beta-caryophyllene

PropertiesImage
MNX_IDMNXM2879 Image of MNXM2879
referencechebi:63190
formulaC15H24
global charge0
mol weight204.357
InChIKeyNPNUFJAVOOONJE-IOMPXFEGSA-N
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1
SMILESC=C1CC/C=C(\C)CC[C@H]2[C@H]1CC2(C)C
MNX internals
InChI (mnx)InChI=1/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m0/s1 Image of MNXM2879
SMILES (mnx)[CH3:1]/[C:11]1=[CH:6]\[CH2:5][CH2:7][C:12](=[CH2:2])[C@@H:13]2[CH2:10][C:15]([CH3:3])([CH3:4])[C@H:14]2[CH2:9][CH2:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63190
chebi:63190
NPNUFJAVOOONJE-IOMPXFEGSA-N 		(+)-(E)-beta-caryophyllene
(+)-beta-caryophyllene
(+)-caryophyllene
(1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene

kegg.compound:C19973
keggC:C19973
NPNUFJAVOOONJE-IOMPXFEGSA-N 		(+)-beta-Caryophyllene

seed.compound:cpd21212
seedM:cpd21212
NPNUFJAVOOONJE-IOMPXFEGSA-N 		(+)-beta-Caryophyllene
(+)-beta-caryophyllene

metacyc.compound:CPD-13785
metacycM:CPD-13785
NPNUFJAVOOONJE-IOMPXFEGSA-N 		(+)-beta-caryophyllene

keggC:M_C19973
seedM:M_cpd21212 		secondary/obsolete/fantasy identifier