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

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3-(2-hydroxyphenyl)propanoate

	Properties	Image
MNX_ID	MNXM1133
reference	chebi:46957
formula	C₉H₉O₃
global charge	-1
mol weight	165.168
InChIKey	CJBDUOMQLFKVQC-UHFFFAOYSA-M
InChI	InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)/p-1
SMILES	O=C([O-])CCC1=C(O)C=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
SMILES (mnx)	[CH:1]1=[CH:2][CH:4]=[C:8]([OH:10])[C:7]([CH2:5][CH2:6][C:9](=[O:11])[OH:12])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:46957 chebi:46957 CJBDUOMQLFKVQC-UHFFFAOYSA-M	3-(2-hydroxyphenyl)propanoate 2-Hydroxyphenylpropanoate 3-(2-Hydroxyphenyl)propionate melilotate
kegg.compound:C01198 keggC:C01198 CJBDUOMQLFKVQC-UHFFFAOYSA-N	3-(2-Hydroxyphenyl)propanoate 2-Hydroxyphenylpropanoate 3-(2-Hydroxyphenyl)propionate 3-(2-Hydroxyphenyl)propionic acid Melilotate
hmdb:HMDB0033752 CJBDUOMQLFKVQC-UHFFFAOYSA-N	3-(2-Hydroxyphenyl)propanoic acid 2-Hydroxy-benzenepropanoic acid 2-Hydroxybenzenepropanoate 2-Hydroxybenzenepropanoic acid 2-Hydroxybenzenepropanoic acid, 9ci 2-Hydroxyphenylpropanoate 2-Hydroxyphenylpropanoic acid 3-(2-Hydroxyphenyl) propanoic acid 3-(2-Hydroxyphenyl) propionate 3-(2-Hydroxyphenyl)propanoate 3-(2-Hydroxyphenyl)propionate 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propanoic acid 3-(O-Hydroxyphenyl) propionate 3-(O-Hydroxyphenyl) propionic acid 3-(O-Hydroxyphenyl)propionic acid, 8ci Hydrocoumaric acid Melilotate Melilotic acid O-Hydroxyhydrocinnamic acid O-Hydroxyphenylpropionate O-Hydroxyphenylpropionic acid OHPA Ortho-hydroxyphenylpropionic acid beta -(O-Hydroxyphenyl)propionic acid beta-(O-Hydroxyphenyl)propionic acid melilotic acid
envipath:...aa526bd2ff2d envipathM:...aa526bd2ff2d CJBDUOMQLFKVQC-UHFFFAOYSA-M	3-(2-Hydroxyphenyl)propionate
CHEBI:16104 chebi:16104 CJBDUOMQLFKVQC-UHFFFAOYSA-N	3-(2-hydroxyphenyl)propanoic acid 2-hydroxybenzenepropanoic acid 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propionic acid 3-(o-hydroxyphenyl) propionic acid melilotic acid o-Hydroxyphenylpropionic acid
seed.compound:cpd00882 seedM:cpd00882 CJBDUOMQLFKVQC-UHFFFAOYSA-M	Melilotate 2-Hydroxyphenylpropanoate 3-(2-Hydroxyphenyl) propionate 3-(2-Hydroxyphenyl)propanoate 3-(2-Hydroxyphenyl)propionate 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propanoate 3-(o-Hydroxyphenyl) propionic acid melilotate
vmhM:melt vmhmetabolite:melt CJBDUOMQLFKVQC-UHFFFAOYSA-M	Melilotate 3-(2-hydroxyphenyl)propanoic acid
envipath:...7e582899e8c0 envipathM:...7e582899e8c0 CJBDUOMQLFKVQC-UHFFFAOYSA-M	compound 0225916
metacyc.compound:MELILOTATE metacycM:MELILOTATE CJBDUOMQLFKVQC-UHFFFAOYSA-M	melilotate 3-(2-Hydroxyphenyl) propionate 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propanoate 3-(o-Hydroxyphenyl) propionic acid
hmdb:HMDB33752 chebi:11719 chebi:1422 chebi:14578 chebi:19921 chebi:19922 keggC:M_C01198 seedM:M_cpd00882 vmhM:M_melt	secondary/obsolete/fantasy identifier