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

(+)-(E)-beta-caryophyllene

Properties Image MNX_ID MNXM2879 reference chebi:63190 formula C15H24 global charge 0 mol weight 204.357 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 C=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 SMILES (mnx) [CH:1]1=[C:2](/[CH3:12])[CH2:3][CH2:8][C@H:9]2[C@H:7]([C:6](=[CH2:13])[CH2:5][CH2:4]/1)[CH2:11][C:10]2([CH3:14])[CH3:15]

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

Identifier	Description
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