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

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methylparaben

	Properties	Image
MNX_ID	MNXM61797
reference	chebi:31835
formula	C₈H₈O₃
global charge	0
mol weight	152.149
InChIKey	LXCFILQKKLGQFO-UHFFFAOYSA-N
InChI	InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
SMILES	COC(=O)C1=CC=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
SMILES (mnx)	[CH3:1][O:11][C:8]([C:6]1=[CH:3][CH:5]=[C:7]([OH:9])[CH:4]=[CH:2]1)=[O:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31835 chebi:31835 LXCFILQKKLGQFO-UHFFFAOYSA-N	methylparaben 4-hydroxybenzoic acid methyl ester E 218 E218 FEMA No. 2710 INS No. 218 INS number 218 Maseptol Metaben Methaben Methyl butex Methyl chemosept Methyl parahydroxybenzoate Metoxyde Moldex Nipagin Paridol Preserval Septos Solbrol Tegosept M methyl 4-hydroxybenzoate methyl p-hydroxybenzoate methyl paraben p-Oxybenzoesauremethylester p-carbomethoxyphenol p-hydroxybenzoic acid methyl ester p-methoxycarbonylphenol
seed.compound:cpd32159 seedM:cpd32159 LXCFILQKKLGQFO-UHFFFAOYSA-N	4-hydroxybenzoate methyl ester methylparaben
kegg.drug:D01400 keggD:D01400 LXCFILQKKLGQFO-UHFFFAOYSA-N	Methyl parahydroxybenzoate (JP18) Methyl parahydroxybenzoate (TN) Methylparaben (NF) Methylparaben (TN)
sabiork.compound:20053 sabiorkM:20053 LXCFILQKKLGQFO-UHFFFAOYSA-N	Methylparaben
hmdb:HMDB0032572 LXCFILQKKLGQFO-UHFFFAOYSA-N	Methylparaben 4-(Carbomethoxy)phenol 4-(Methoxycarbonyl)phenol 4-Hydroxybenzoate methyl ester 4-Hydroxybenzoic acid methyl ester 4-Hydroxymethyl benzoate Benzoic acid, 4-hydroxy-, methyl ester Benzoic acid, P-hydroxy-, methyl ester FEMA no. 2710 INS no. 218 INS number 218 Maseptol Metaben Methaben Methyl 4-(3'-butenyloxy)benzoate Methyl 4-hydroxybenzoate Methyl P-oxybenzoate Methyl butex Methyl chemosept Methyl ester OF P-hydroxybenzoic acid Methyl p-hydroxybenzoate Methyl p-hydroxybenzoic acid Methyl paraben Methyl parahydroxybenzoate Methyl parahydroxybenzoic acid Methyl parasept Methyl-4-hydroxybenzoate Methyl-P-hydroxybenzoate Methylparaben, sodium salt Metoxyde Moldex Nipagin Nipagin m P-Hydroxybenzoic acid, methyl ester P-Hydroxybenzoic methyl ester Paridol Preserval Septos Solbrol Tegosept m e 218 e218 methyl 4-hydroxybenzoate p-Carbomethoxyphenol p-Hydroxybenzoate methyl ester p-Hydroxybenzoic acid methyl ester p-Methoxycarbonylphenol p-Oxybenzoesauremethylester paraben
metacyc.compound:CPD-18691 metacycM:CPD-18691 LXCFILQKKLGQFO-UHFFFAOYSA-N	methylparaben 4-hydroxybenzoate methyl ester
hmdb:HMDB32572 keggD:M_D01400 seedM:M_cpd32159	secondary/obsolete/fantasy identifier