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

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2-methyl-4-phenyl-2-butanol

	Properties	Image
MNX_ID	MNXM116870
reference	chebi:195767
formula	C₁₁H₁₆O
global charge	0
mol weight	164.248
InChIKey	YXVSKJDFNJFXAJ-UHFFFAOYSA-N
InChI	InChI=1S/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
SMILES	CC(C)(O)CCC1=CC=CC=C1

MNX internals

InChI (mnx)	InChI=1/C11H16O/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3
SMILES (mnx)	[CH3:1][C:11]([CH3:2])([CH2:9][CH2:8][C:10]1=[CH:6][CH:4]=[CH:3][CH:5]=[CH:7]1)[OH:12]

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:195767 chebi:195767 YXVSKJDFNJFXAJ-UHFFFAOYSA-N	2-methyl-4-phenyl-2-butanol 1,1-dimethyl-3-phenyl-1-propanol 1,1-dimethyl-3-phenylpropanol 1,1-dimethyl-3-phenylpropyl alcohol 1-phenyl-3-methylbutan-3-ol 2-(2-phenylethyl)-2-propanol 2-hydroxy-2-methyl-4-phenylbutane 2-methyl-4-phenylbutan-2-ol 2-phenethyl-2-propanol 2-phenylethyldimethylcarbinol 4-phenyl-2-hydroxy-2-methylbutane 4-phenyl-2-methyl-2-butanol FEMA 3629 Muguet carbinol alpha,alpha-dimethyl-gamma-phenylpropyl alcohol alpha,alpha-dimethylbenzenepropanol benzyl-tert-butanol dimethyl-beta-phenylethylcarbinol dimethylphenethylcarbinol phenylethyl dimethyl carbinol
hmdb:HMDB0031866 YXVSKJDFNJFXAJ-UHFFFAOYSA-N	2-Methyl-4-phenyl-2-butanol 1, 1-Dimethyl-3-phenyl-1-propanol 1,1-Dimethyl-3-phenyl-1-propanol 1,1-Dimethyl-3-phenylpropanol 1,1-Dimethyl-3-phenylpropyl alcohol 1-Propanol, 1,1-dimethyl-3-phenyl- (8ci) 2-(2-Phenylethyl)-2-propanol 2-Methyl-4-phenylbutan-2-ol 2-Phenethyl-2-propanol 2-methyl-4-phenylbutan-2-ol Benzyl-t-butanol Benzyl-tert-butanol Dimethyl phenylethyl carbinol Dimethylphenethylcarbinol Dimethylphenylethyl carbinol Dimethylphenylethylcarbinol FEMA 3629 Imethyl phenyl ethyl carbinol Phenethyl dimethyl carbinol Phenylethyl dimethyl carbinol a,a-Dimethylbenzenepropanol, 9ci alpha,alpha-Dimethyl-benzenepropanol alpha,alpha-Dimethyl-gamma-phenylpropyl alcohol alpha,alpha-Dimethylbenzenepropanol benzenepropanol, alpha,alpha-dimethyl-
hmdb:HMDB31866	secondary/obsolete/fantasy identifier