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(+)-(E)-beta-caryophyllene

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1365233

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

NPNUFJAVOOONJE-IOMPXFEGSA-N

InChI

InChI=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

SMILES

[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

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63190 chebi:63190	(+)-(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	(+)-beta-Caryophyllene
seed.compound:cpd21212 seedM:cpd21212	(+)-beta-Caryophyllene (+)-beta-caryophyllene
keggC:M_C19973 seedM:M_cpd21212	secondary/obsolete/fantasy identifier