MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

Feedback

Humulol

	Properties	Image
MNX_ID	MNXM126577
reference	chebi:189799
formula	C₁₅H₂₆O
global charge	0
mol weight	222.372
InChIKey	ZLMAVMBYWKVCLV-IMWXLZLDSA-N
InChI	InChI=1S/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+
SMILES	C/C1=C\CC(C)(C)/C=C/CC(C)(O)CCC1

MNX internals

InChI (mnx)	InChI=1/C15H26O/c1-13-7-5-10-15(4,16)11-6-9-14(2,3)12-8-13/h6,8-9,16H,5,7,10-12H2,1-4H3/b9-6+,13-8+/t15?
SMILES (mnx)	[CH3:1]/[C:13]1=[CH:8]\[CH2:12][C:14]([CH3:2])([CH3:3])/[CH:9]=[CH:6]/[CH2:11][C:15]([CH3:4])([OH:16])[CH2:10][CH2:5][CH2:7]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
Identifier	Description
CHEBI:189799 chebi:189799 ZLMAVMBYWKVCLV-IMWXLZLDSA-N	Humulol (3E,7E)-1,5,5,8-tetramethylcycloundeca-3,7-dien-1-ol
hmdb:HMDB0038213 ZLMAVMBYWKVCLV-IMWXLZLDSA-N	Humulol
hmdb:HMDB38213	secondary/obsolete/fantasy identifier