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

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4-tert-butylphenol

	Properties	Image
MNX_ID	MNXM37736
reference	chebi:34444
formula	C₁₀H₁₄O
global charge	0
mol weight	150.221
InChIKey	QHPQWRBYOIRBIT-UHFFFAOYSA-N
InChI	InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
SMILES	CC(C)(C)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
SMILES (mnx)	[CH3:1][C:10]([CH3:2])([CH3:3])[C:8]1=[CH:5][CH:7]=[C:9]([OH:11])[CH:6]=[CH:4]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
Identifier	Description
CHEBI:34444 chebi:34444 QHPQWRBYOIRBIT-UHFFFAOYSA-N	4-tert-butylphenol 4-(1,1-Dimethylethyl)phenol 4-tert-Butyl-phenol 4-tert-Butylphenol Butylphen PTBP p-t-Butyl phenol p-tert-Butylphenol para-tertiary-butylphenol
hmdb:HMDB0032063 QHPQWRBYOIRBIT-UHFFFAOYSA-N	4-tert-Butylphenol 1-Hydroxy-4-tert-butylbenzene 2-(4-Hydroxyphenyl)-2-methylpropane 4-(1, 1-Dimethylethyl)phenol 4-(1,1-Dimethylethyl)-phenol 4-(1,1-Dimethylethyl)phenol 4-(1,1-Dimethylethyl)phenol, 9ci 4-(t-Butyl)phenol 4-Tert-butyl-phenol 4-Tertiary-butylphenol 4-t-Butylphenol 4-tert-butylphenol Butylphen FEMA 3918 Lowinox 070 Lowinox PTBT Lowinox TBMX PTBP Para-tertiary-butylphenol T-Butylphenol Ucar butylphenol 4-T Ucar butylphenol 4-T flake p-(Tert-butyl)-phenol p-Sec-butylphenol p-Terc.butylfenol p-Tert-butyl-phenol p-Tert-butylphenol p-t-Butyl phenol p-t-Butylphenol
sabiork.compound:21461 sabiorkM:21461 kegg.compound:C14200 keggC:C14200 QHPQWRBYOIRBIT-UHFFFAOYSA-N	4-tert-Butylphenol Butylphen
seed.compound:cpd09899 seedM:cpd09899 QHPQWRBYOIRBIT-UHFFFAOYSA-N	Butylphen 4-tert-Butylphenol
envipath:...106385355272 envipathM:...106385355272 envipath:...9789af9dbc8e envipathM:...9789af9dbc8e QHPQWRBYOIRBIT-UHFFFAOYSA-N	PTBP
hmdb:HMDB32063 chebi:117047 keggC:M_C14200 seedM:M_cpd09899	secondary/obsolete/fantasy identifier