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beta-caryophyllene

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM1365234

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₁₅H₂₄

charge

mass

204.357

reference

InChIKey

NPNUFJAVOOONJE-IZZDOVSWSA-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+

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63191 chebi:63191	beta-caryophyllene (4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
metacyc.compound:CPD-13785 metacycM:CPD-13785	(+)-beta-caryophyllene
metacyc.compound:CPD-8230 metacycM:CPD-8230	(-)-beta-caryophyllene (-)-(E)-beta-caryophyllene (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (E)-beta-caryophyllene Caryophyllene beta-Caryophyllene trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene trans-caryophyllene
metacyc.compound:CPD-14799 metacycM:CPD-14799	(E)-2-epi-beta-caryophyllene