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(E)-2-epi-beta-caryophyllene

MNXM97178 is deprecated and replaced by MNXM1129325
PropertiesImage
MNX_IDMNXM1129325 Image of MNXM1129325
referencechebi:68667
formulaC15H24
global charge0
mol weight204.357
InChIKeyNPNUFJAVOOONJE-QWAJQTJBSA-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 MNXM1129325
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)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:68667
chebi:68667
NPNUFJAVOOONJE-QWAJQTJBSA-N 		(E)-2-epi-beta-caryophyllene
(1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
2-epi-(E)-beta-caryophyllene
9-epi-(E)-caryophyllene
9-epi-beta-caryophyllene
9-epi-caryophyllene

seed.compound:cpd31128
seedM:cpd31128
NPNUFJAVOOONJE-QWAJQTJBSA-N 		(E)-2-epi-beta-Caryophyllene
(E)-2-epi-beta-caryophyllene
2-epi-(E)-beta-Caryophyllene

kegg.compound:C20478
keggC:C20478
NPNUFJAVOOONJE-QWAJQTJBSA-N 		(E)-2-epi-beta-Caryophyllene
2-epi-(E)-beta-Caryophyllene

metacyc.compound:CPD-14799
metacycM:CPD-14799
NPNUFJAVOOONJE-QWAJQTJBSA-N 		(E)-2-epi-beta-caryophyllene

chebi:172932
keggC:M_C20478
seedM:M_cpd31128 		secondary/obsolete/fantasy identifier