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

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4-isopropylbenzyl alcohol

	Properties	Image
MNX_ID	MNXM5878
reference	chebi:27628
formula	C₁₀H₁₄O
global charge	0
mol weight	150.221
InChIKey	OIGWAXDAPKFNCQ-UHFFFAOYSA-N
InChI	InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
SMILES	CC(C)C1=CC=C(CO)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
SMILES (mnx)	[CH3:1][CH:8]([CH3:2])[C:10]1=[CH:6][CH:4]=[C:9]([CH2:7][OH:11])[CH:3]=[CH:5]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27628 chebi:27628 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	4-isopropylbenzyl alcohol (4-isopropylphenyl)methanol (4-propan-2-ylphenyl)methanol 4-(1-Methylethyl)benzenemethanol Cumic alcohol Cumin alcohol Cuminic alcohol Cuminol Cuminyl alcohol Cumyl alcohol P-Mentha-1,3,5-trien-7-ol [4-(propan-2-yl)phenyl]methanol p-Cumic alcohol p-Cumin-7-ol p-Cymen-7-ol p-Isopropylbenzyl alcohol para-Cymen-7-ol
metacyc.compound:CPD-1002 metacycM:CPD-1002 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	4-isopropylbenzyl alcohol 4-(1-methylethyl)-benzenemethanol cuminic alcohol cuminyl alcohol p-cumic alcohol
hmdb:HMDB0031817 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	Cuminyl alcohol (4-Isopropylphenyl)methanol (4-Propan-2-ylphenyl)methanol 4-(1-Methylethyl)-benzenemethanol 4-(1-Methylethyl)benzene methanol 4-(1-Methylethyl)benzenemethanol 4-(1-Methylethyl)benzenemethanol, 9ci 4-ISOPROPYLBENZENEMETHANOL 4-Isopropyl benzyl alcohol 4-Isopropylbenzyl alcohol Cumic alcohol Cumin alcohol Cuminic alcohol Cuminol Cuminol ( P-cymen-7-ol) Cuminylalcohol Cumyl alcohol FEMA 2933 P-Cymen-7-ol, 8ci P-Cymene-7-ol P-Isopropyl benzyl alcohol P-Isopropyl-benzyl alcohol Para-cymen-7-ol [4-(propan-2-yl)phenyl]methanol cuminol p-Cumic alcohol p-Cumin-7-ol p-Cymen-7-ol p-Isopropylbenzyl alcohol p-Mentha-1,3,5-trien-7-ol
envipath:...f890094deb88 envipathM:...f890094deb88 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	p-Cumic alcohol
seed.compound:cpd03983 seedM:cpd03983 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	p-Cumic alcohol 4-(1-methylethyl)-benzenemethanol 4-isopropylbenzyl alcohol cuminic alcohol cuminyl alcohol p-cumic alcohol
kegg.compound:C06576 keggC:C06576 OIGWAXDAPKFNCQ-UHFFFAOYSA-N	p-Cumic alcohol 4-Isopropylbenzyl alcohol
hmdb:HMDB31817 chebi:10622 chebi:25823 keggC:M_C06576 seedM:M_cpd03983	secondary/obsolete/fantasy identifier