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

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4-n-Heptylphenol

	Properties	Image
MNX_ID	MNXM37650
reference	chebi:34438
formula	C₁₃H₂₀O
global charge	0
mol weight	192.302
InChIKey	KNDDEFBFJLKPFE-UHFFFAOYSA-N
InChI	InChI=1S/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
SMILES	CCCCCCCC1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C13H20O/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11,14H,2-7H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:12]1=[CH:9][CH:11]=[C:13]([OH:14])[CH:10]=[CH:8]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:34438 chebi:34438 KNDDEFBFJLKPFE-UHFFFAOYSA-N	4-n-Heptylphenol p-Heptylphenol p-Hydroxyheptylbenzene
hmdb:HMDB0246435 KNDDEFBFJLKPFE-UHFFFAOYSA-N	4-Heptylphenol 4-heptylphenol heptanyl-P-phenol p-Heptylphenol p-Hydroxyheptylbenzene
kegg.compound:C14698 keggC:C14698 KNDDEFBFJLKPFE-UHFFFAOYSA-N	4-Heptylphenol 4-n-Heptylphenol p-Heptylphenol p-Hydroxyheptylbenzene
seed.compound:cpd10396 seedM:cpd10396 KNDDEFBFJLKPFE-UHFFFAOYSA-N	p-Heptylphenol 4-n-Heptylphenol p-Hydroxyheptylbenzene
keggC:M_C14698 seedM:M_cpd10396	secondary/obsolete/fantasy identifier