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

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phloretate

	Properties	Image
MNX_ID	MNXM4778
reference	chebi:16331
formula	C₉H₉O₃
global charge	-1
mol weight	165.168
InChIKey	NMHMNPHRMNGLLB-UHFFFAOYSA-M
InChI	InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)/p-1
SMILES	O=C([O-])CCC1=CC=C(O)C=C1

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16331 chebi:16331 NMHMNPHRMNGLLB-UHFFFAOYSA-M	phloretate 3-(4-hydroxyphenyl)propanate 3-(4-hydroxyphenyl)propanoate
envipath:...f42849d2aba0 envipathM:...f42849d2aba0 NMHMNPHRMNGLLB-UHFFFAOYSA-M	3-(4-Hydroxyphenyl)propionate
sabiork.compound:26813 sabiorkM:26813 NMHMNPHRMNGLLB-UHFFFAOYSA-N	4-Hydroxyphenyl propionic acid
hmdb:HMDB0002199 NMHMNPHRMNGLLB-UHFFFAOYSA-N	Desaminotyrosine 2,3-Dihydro-p-coumaric acid 3-(4'-Hydroxyphenyl)-propionate 3-(4'-Hydroxyphenyl)-propionic acid 3-(4'-Hydroxyphenyl)propanoic acid 3-(4'-Hydroxyphenyl)propionic acid 3-(4-Hydroxy-phenyl)-propionate 3-(4-Hydroxy-phenyl)-propionic acid 3-(4-Hydroxyphenyl)-propionate 3-(4-Hydroxyphenyl)-propionic acid 3-(4-Hydroxyphenyl)propanoate 3-(4-Hydroxyphenyl)propanoic acid 3-(4-Hydroxyphenyl)propionate 3-(4-hydroxyphenyl)propanoic acid 3-(Para-hydroxyphenyl)propionate 3-(Para-hydroxyphenyl)propionic acid 3-(p-Hydroxyphenyl)propanoic acid 3-(p-Hydroxyphenyl)propionate 3-(p-Hydroxyphenyl)propionic acid 4'-Hydroxyphenylpropionic acid 4-(2-Carboxyethyl)phenol 4-(2-Carboxylethyl)phenol 4-(4-Hydroxyphenylpropanoate 4-(4-Hydroxyphenylpropanoic acid 4-Hydroxy-(9ci)benzenepropanoate 4-Hydroxy-(9ci)benzenepropanoic acid 4-Hydroxy-benzenepropanoate 4-Hydroxy-benzenepropanoic acid 4-Hydroxybenzenepropanoate 4-Hydroxybenzenepropanoic acid 4-Hydroxybenzenepropionic acid 4-Hydroxydihydrocinnamic acid 4-Hydroxyhydrocinnamic acid 4-Hydroxyphenylpropionate 4-Hydroxyphenylpropionic acid Dihydro-p-coumarate Dihydro-p-coumaric acid Dihydrocoumaric acid HYDROXYPHENYL propionIC ACID HYDROXYPHENYL propionate Hydro-p-coumaric acid Hydroxy-hydrocinnamic acid N-Hydroxysuccinimide ester P-Hydroxy-benzene propionate P-Hydroxy-benzene propionic acid P-Hydroxy-hydrocinnamate P-Hydroxy-hydrocinnamic acid Phloretate Phloretinate Phloretinic acid b-(p-Hydroxyphenyl)propionate b-(p-Hydroxyphenyl)propionic acid beta-(4-Hydroxyphenyl)propanoic acid beta-(4-Hydroxyphenyl)propionic acid beta-(p-Hydroxyphenyl)propanoic acid beta-(p-Hydroxyphenyl)propionate beta-(p-Hydroxyphenyl)propionic acid beta-(p-hydroxyphenyl)propionate beta-(p-hydroxyphenyl)propionic acid hydro-P-Coumarate hydroxyphenyl propionic acid p-Hydroxybenzene propanoic acid p-Hydroxybenzene propionic acid p-Hydroxyhydrocinnamate p-Hydroxyhydrocinnamic acid p-Hydroxyphenylpropanoic acid p-Hydroxyphenylpropionate p-Hydroxyphenylpropionic acid
kegg.compound:C01744 keggC:C01744 NMHMNPHRMNGLLB-UHFFFAOYSA-N	Phloretate 3-(4-Hydroxyphenyl)propanoate 3-(4-Hydroxyphenyl)propionic acid Phloretic acid
seed.compound:cpd01202 seedM:cpd01202 NMHMNPHRMNGLLB-UHFFFAOYSA-M	Phloretate 3-(4-Hydroxyphenyl)propionic acid 3-(4-hydroxyphenyl)propaonate 3-(4-hydroxyphenyl)propionate 3-(p-hydroxyphenyl)propaonate 3-(p-hydroxyphenyl)propionate Phloretic acid desaminotyrosine phloretate
sabiork.compound:5768 sabiorkM:5768 NMHMNPHRMNGLLB-UHFFFAOYSA-N	Phloretate 3-(4-Hydroxyphenyl)propionic acid Phloretic acid
envipath:...fcc08e76581c envipathM:...fcc08e76581c NMHMNPHRMNGLLB-UHFFFAOYSA-M	compound 0062887
vmhM:phppa vmhmetabolite:phppa NMHMNPHRMNGLLB-UHFFFAOYSA-M	p-hydroxyphenylpropionic acid 3-(4-hydroxyphenyl)propanoic acid
metacyc.compound:PHLORETATE metacycM:PHLORETATE NMHMNPHRMNGLLB-UHFFFAOYSA-M	phloretate 3-(4-hydroxyphenyl)propanoate 3-(4-hydroxyphenyl)propionate 3-(p-hydroxyphenyl)propaonate 3-(p-hydroxyphenyl)propionate desaminotyrosine
CHEBI:32980 chebi:32980 NMHMNPHRMNGLLB-UHFFFAOYSA-N	phloretic acid 3-(4-Hydroxyphenyl)propionic acid 3-(4-hydroxyphenyl)propanoic acid 3-(p-hydroxyphenyl)propionic acid 4-Hydroxyphenylpropionic acid Dihydro-p-coumaric acid HYDROXYPHENYL PROPIONIC ACID Phloretic acid Phloretinic acid beta-(p-hydroxyphenyl)propionic acid desaminotyrosine p-Hydroxyhydrocinnamic acid p-hydroxyphenylpropionic acid
hmdb:HMDB0061145 hmdb:HMDB02199 hmdb:HMDB61145 chebi:14786 chebi:19933 chebi:19934 chebi:43113 chebi:8110 keggC:M_C01744 seedM:M_cpd01202 vmhM:M_phppa	secondary/obsolete/fantasy identifier