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

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(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoate

	Properties	Image
MNX_ID	MNXM726801
reference	chebi:58642
formula	C₉H₇O₄
global charge	-1
mol weight	179.151
InChIKey	SIUKXCMDYPYCLH-SNAWJCMRSA-M
InChI	InChI=1S/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/p-1/b5-4+
SMILES	O=C([O-])/C=C/C1=C(O)C(O)=CC=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,10,13H,(H,11,12)/b5-4+
SMILES (mnx)	[CH:1]1=[CH:2][C:6](/[CH:4]=[CH:5]/[C:8](=[O:11])[OH:12])=[C:9]([OH:13])[C:7]([OH:10])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	6

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58642 chebi:58642 SIUKXCMDYPYCLH-SNAWJCMRSA-M	(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoate 2,3-dihydroxy-trans-cinnamate
envipath:...8c757c0ea104 envipathM:...8c757c0ea104 SIUKXCMDYPYCLH-SNAWJCMRSA-M	2,3-Dihydroxycinnamate
seed.compound:cpd09254 seedM:cpd09254 SIUKXCMDYPYCLH-SNAWJCMRSA-M	2,3-dihydroxicinnamic acid (2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoate 2,3-dihydroxy-trans-cinnamate 2,3-dihydroxycinnamic acid dhcinnm trans-2,3-Dihydroxycinnamate
metacyc.compound:CPD-10796 metacycM:CPD-10796 SIUKXCMDYPYCLH-SNAWJCMRSA-M	2,3-dihydroxy-trans-cinnamate (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoate 2,3-dihydroxycinnamic acid
CHEBI:32356 chebi:32356 SIUKXCMDYPYCLH-SNAWJCMRSA-N	2,3-dihydroxy-trans-cinnamic acid (2E)-3-(2,3-dihydroxyphenyl)acrylic acid (2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid trans-2,3-Dihydroxycinnamate
sabiork.compound:14654 sabiorkM:14654 SIUKXCMDYPYCLH-SNAWJCMRSA-N	trans-2,3-Dihydroxycinnamate
kegg.compound:C12623 keggC:C12623 SIUKXCMDYPYCLH-SNAWJCMRSA-N	trans-2,3-Dihydroxycinnamate (2E)-3-(2,3-Dihydroxyphenyl)prop-2-enoate
keggC:M_C12623 seedM:M_cpd09254	secondary/obsolete/fantasy identifier