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Humulen-(v1)

PropertiesImage
MNX_IDMNXM156589 Image of MNXM156589
referencechebi:88638
formulaC15H24
global charge0
mol weight204.357
InChIKeyNSMRKFBAPAOVQL-FLIBITNWSA-N
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-
SMILESC=C1CCC/C(C)=C\CC2C1CC2(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/h8,13-14H,2,5-7,9-10H2,1,3-4H3/b11-8-/t13?,14? Image of MNXM156589
SMILES (mnx)[CH3:1]/[C:11]1=[CH:8]/[CH2:9][CH:14]2[CH:13]([CH2:10][C:15]2([CH3:3])[CH3:4])[C:12](=[CH2:2])[CH2:7][CH2:5][CH2:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:88638
chebi:88638
NSMRKFBAPAOVQL-FLIBITNWSA-N 		Humulen-(v1)
(1R),(3Z),(9S)-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-3-ene
(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene
hmdb:HMDB0061845
NSMRKFBAPAOVQL-FLIBITNWSA-N 		Humulen-(v1)
(3Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-3-ene

hmdb:HMDB61845 		secondary/obsolete/fantasy identifier