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

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4-tert-Octylphenol

	Properties	Image
MNX_ID	MNXM37737
reference	chebi:34445
formula	C₁₄H₂₂O
global charge	0
mol weight	206.329
InChIKey	ISAVYTVYFVQUDY-UHFFFAOYSA-N
InChI	InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
SMILES	CC(C)(C)CC(C)(C)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
SMILES (mnx)	[CH3:1][C:13]([CH3:2])([CH3:3])[CH2:10][C:14]([CH3:4])([CH3:5])[C:11]1=[CH:7][CH:9]=[C:12]([OH:15])[CH:8]=[CH:6]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
sabiork.compound:21466 sabiorkM:21466 CHEBI:34445 chebi:34445 kegg.compound:C14205 keggC:C14205 ISAVYTVYFVQUDY-UHFFFAOYSA-N	4-tert-Octylphenol 4-(1,1,3,3-Tetramethylbutyl)phenol 4-t-Octylphenol
hmdb:HMDB0013825 ISAVYTVYFVQUDY-UHFFFAOYSA-N	4-(1,1,3,3-Tetramethylbutyl)-phenol 4-(1,1,3,3-Tetramethylbutyl)phenol 4-(1,1,3,3-Tetramethylbutyl)phenol (acd/name 4.0) 4-(2,4,4-trimethylpentan-2-yl)phenol 4-Tertiary-octylphenol 4-t-Octylphenol 4-tert-octylphenol Octylphenol PT P-(1',1',3', 3'-Tetramethylbutyl)phenol P-(1',1',3',3'-Tetramethylbutyl)phenol P-(1,1,3,3-Tetramethylbutyl)phenol P-(Tert-octyl)-phenol P-Octylphenol P-Terc.oktylfenol Para-tert-octylphenol Tert-octylphenol, flaked a-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) alpha-(p-(1,1,3,3-Tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) alpha-(p-(1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxypoly(oxyethylene) p-(1,1,3,3-Tetramethylbutyl)-phenol p-Tert-octylphenol
seed.compound:cpd09904 seedM:cpd09904 ISAVYTVYFVQUDY-UHFFFAOYSA-N	4-t-Octylphenol 4-(1,1,3,3-Tetramethylbutyl)phenol 4-tert-Octylphenol
envipath:...90f9fd786b7b envipathM:...90f9fd786b7b ISAVYTVYFVQUDY-UHFFFAOYSA-N	compound 0056232
hmdb:HMDB0032528 hmdb:HMDB13825 hmdb:HMDB32528 keggC:M_C14205 seedM:M_cpd09904	secondary/obsolete/fantasy identifier