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

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3-(3,4-dihydroxyphenyl)propanoate

	Properties	Image
MNX_ID	MNXM3476
reference	chebi:58744
formula	C₉H₉O₄
global charge	-1
mol weight	181.167
InChIKey	DZAUWHJDUNRCTF-UHFFFAOYSA-M
InChI	InChI=1S/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)/p-1
SMILES	O=C([O-])CCC1=CC=C(O)C(O)=C1

MNX internals

InChI (mnx)	InChI=1/C9H10O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5,10-11H,2,4H2,(H,12,13)
SMILES (mnx)	[CH:1]1=[CH:3][C:7]([OH:10])=[C:8]([OH:11])[CH:5]=[C:6]1[CH2:2][CH2:4][C:9](=[O:12])[OH:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58744 chebi:58744 DZAUWHJDUNRCTF-UHFFFAOYSA-M	3-(3,4-dihydroxyphenyl)propanoate
hmdb:HMDB0000423 DZAUWHJDUNRCTF-UHFFFAOYSA-N	3,4-Dihydroxyhydrocinnamic acid 3,4-Dihydroxy-(6ci,7ci,8ci)hydrocinnamate 3,4-Dihydroxy-(6ci,7ci,8ci)hydrocinnamic acid 3,4-Dihydroxy-b-phenylpropionate 3,4-Dihydroxy-b-phenylpropionic acid 3,4-Dihydroxy-beta-phenylpropionate 3,4-Dihydroxy-beta-phenylpropionic acid 3,4-Dihydroxybenzenepropanoate 3,4-Dihydroxybenzenepropionate 3,4-Dihydroxybenzenepropionic acid 3,4-Dihydroxydihydrocinnamate 3,4-Dihydroxydihydrocinnamic acid 3,4-Dihydroxyhydrocinnamate 3,4-Dihydroxyphenylpropionate 3,4-Dihydroxyphenylpropionic acid 3,4-Dihydroxyphenylpropionic acid, potassium salt 3-(3',4'-Dihydroxyphenyl)propanoic acid 3-(3,4-Dihydroxyphenyl)propanoate 3-(3,4-Dihydroxyphenyl)propanoic acid 3-(3,4-Dihydroxyphenyl)propionate 3-(3,4-dihydroxyphenyl)propanoic acid DHC Dihydrocaffeate Hydrocaffeate dihydrocaffeic acid
sabiork.compound:26803 sabiorkM:26803 DZAUWHJDUNRCTF-UHFFFAOYSA-N	3,4-Dihydroxyphenyl propionic acid 3,4-Dihydroxyphenylpropionate 3,4-Dihydroxyphenylpropionic acid Dihydrocaffeic acid
kegg.compound:C10447 keggC:C10447 DZAUWHJDUNRCTF-UHFFFAOYSA-N	3,4-Dihydroxyphenylpropanoate 3,4-Dihydroxyphenylpropionic acid 3-(3,4-Dihydroxyphenyl)propanoate Dihydrocaffeic acid
CHEBI:48400 chebi:48400 DZAUWHJDUNRCTF-UHFFFAOYSA-N	3-(3,4-dihydroxyphenyl)propanoic acid 3,4-dihydroxy-beta-phenylpropionic acid 3,4-dihydroxybenzenepropanoic acid 3,4-dihydroxybenzenepropionic acid 3,4-dihydroxydihydrocinnamic acid 3,4-dihydroxyhydrocinnamic acid 3,4-dihydroxyphenylpropionic acid 3-(3,4-dihydroxyphenyl)propionic acid dihydrocaffeic acid hydrocaffeic acid
seed.compound:cpd07333 seedM:cpd07333 DZAUWHJDUNRCTF-UHFFFAOYSA-M	Dihydrocaffeic acid 3,4-Dihydroxyphenylpropanoate 3,4-Dihydroxyphenylpropionic acid 3,4-dihydroxyphenylpropanoate 3,4-dihydroxyphenylpropionate CPDIM-6116 hydrocaffeate hydrocaffeic acid
sabiork.compound:20050 sabiorkM:20050 DZAUWHJDUNRCTF-UHFFFAOYSA-N	Hydrocaffeic acid
envipath:...20cf0fe7b8d3 envipathM:...20cf0fe7b8d3 DZAUWHJDUNRCTF-UHFFFAOYSA-M	compound 0062891
metacyc.compound:CPD-17463 metacycM:CPD-17463 DZAUWHJDUNRCTF-UHFFFAOYSA-M	hydrocaffeate 3,4-dihydroxyphenylpropanoate hydrocaffeic acid
hmdb:HMDB00423 chebi:4556 keggC:M_C10447 seedM:M_cpd07333	secondary/obsolete/fantasy identifier