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

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(2E)-3-(3-hydroxyphenyl)prop-2-enoate

	Properties	Image
MNX_ID	MNXM1107995
reference	chebi:47928
formula	C₉H₇O₃
global charge	-1
mol weight	163.152
InChIKey	KKSDGJDHHZEWEP-SNAWJCMRSA-M
InChI	InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/p-1/b5-4+
SMILES	O=C([O-])/C=C/C1=CC=CC(O)=C1

MNX internals

InChI (mnx)	InChI=1/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
SMILES (mnx)	[CH:1]1=[CH:2][C:7](/[CH:4]=[CH:5]/[C:9](=[O:11])[OH:12])=[CH:6][C:8]([OH:10])=[CH:3]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
CHEBI:47928 chebi:47928 KKSDGJDHHZEWEP-SNAWJCMRSA-M	(2E)-3-(3-hydroxyphenyl)prop-2-enoate (2E)-3-(3-hydroxyphenyl)acrylate trans-3-coumarate
seed.compound:cpd09252 seedM:cpd09252 KKSDGJDHHZEWEP-SNAWJCMRSA-M	3-Coumaric acid (2E)-3-(3-Hydroxyphenyl)prop-2-enoate (2E)-3-(3-hydroxyphenyl)prop-2-enoate 3-coumarate 3-hydroxy-trans-cinnamate 3-hydroxycinnamate 3-hydroxycinnamic acid 3hcinnm trans-3-Hydroxycinnamate
metacyc.compound:CPD-10797 metacycM:CPD-10797 KKSDGJDHHZEWEP-SNAWJCMRSA-M	3-hydroxycinnamate (2E)-3-(3-hydroxyphenyl)prop-2-enoate 3-coumarate 3-hydroxy-trans-cinnamate (incorrect) 3-hydroxycinnamic acid m-coumarate m-coumaric acid trans-3-coumarate trans-3-hydroxycinnamate
bigg.metabolite:3hcinnm biggM:3hcinnm KKSDGJDHHZEWEP-SNAWJCMRSA-M	3-hydroxycinnamic acid
vmhM:3hcinnm vmhmetabolite:3hcinnm KKSDGJDHHZEWEP-SNAWJCMRSA-M	3-hydroxycinnamic acid (2E)-3-(3-hydroxyphenyl)prop-2-enoic acid
hmdb:HMDB0001713 KKSDGJDHHZEWEP-SNAWJCMRSA-N	m-Coumaric acid (2E)-3-(3-Hydroxyphenyl)-2-propenoate (2E)-3-(3-Hydroxyphenyl)-2-propenoic acid (2E)-3-(3-Hydroxyphenyl)acrylate (2E)-3-(3-Hydroxyphenyl)acrylic acid (2E)-3-(3-Hydroxyphenyl)prop-2-enoate (2E)-3-(3-Hydroxyphenyl)prop-2-enoic acid (2E)-3-(3-hydroxyphenyl)prop-2-enoic acid (E)-3-(3-Hydroxyphenyl)acrylic acid (E)-3-Hydroxycinnamic acid (e)-3-(3-Hydroxyphenyl)-2-propenoate (e)-3-(3-Hydroxyphenyl)-2-propenoic acid 3'-Hydroxycinnamate 3'-Hydroxycinnamic acid 3-(3-Hydroxyphenyl)-2-propenoate 3-(3-Hydroxyphenyl)-2-propenoic acid 3-(3-Hydroxyphenyl)acrylate 3-(3-Hydroxyphenyl)acrylsaeure 3-(3-Hydroxyphenyl)prop-2-enoate 3-(3-Hydroxyphenyl)prop-2-enoic acid 3-Coumarate 3-Coumaric acid, (e)-isomer 3-Hydroxycinnamate 3-Hydroxycinnamic acid Meta-coumaric acid m-Coumarate m-Hydroxy-cinnamate m-Hydroxy-cinnamic acid m-Hydroxycinnamate m-Hydroxycinnamic acid m-coumaric acid trans-3-(m-Hydroxyphenyl)-2-propenoic acid trans-3-Coumarate trans-3-Hydroxycinnamate trans-3-Hydroxycinnamic acid trans-m-Coumaric acid trans-m-Hydroxycinnamic acid
kegg.compound:C12621 keggC:C12621 KKSDGJDHHZEWEP-SNAWJCMRSA-N	trans-3-Hydroxycinnamate (2E)-3-(3-Hydroxyphenyl)prop-2-enoate
sabiork.compound:14652 sabiorkM:14652 KKSDGJDHHZEWEP-SNAWJCMRSA-N	trans-3-Hydroxycinnamate 3-Coumaric acid
CHEBI:32357 chebi:32357 KKSDGJDHHZEWEP-SNAWJCMRSA-N	trans-3-coumaric acid (2E)-3-(3-hydroxyphenyl)-2-propenoic acid (2E)-3-(3-hydroxyphenyl)acrylic acid (2E)-3-(3-hydroxyphenyl)prop-2-enoic acid (E)-3-(3-hydroxyphenyl)-2-propenoic acid 3-Coumaric acid m-Coumaric acid m-Hydroxycinnamic acid trans-3-Hydroxycinnamate trans-3-Hydroxycinnamic acid
hmdb:HMDB0062774 hmdb:HMDB01713 hmdb:HMDB62774 biggM:M_3hcinnm keggC:M_C12621 seedM:M_cpd09252 vmhM:M_3hcinnm	secondary/obsolete/fantasy identifier