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

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isoferulic acid

	Properties	Image
MNX_ID	MNXM57936
reference	chebi:27794
formula	C₁₀H₁₀O₄
global charge	0
mol weight	194.186
InChIKey	QURCVMIEKCOAJU-HWKANZROSA-N
InChI	InChI=1S/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES	COC1=C(O)C=C(/C=C/C(=O)O)C=C1

MNX internals

InChI (mnx)	InChI=1/C10H10O4/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
SMILES (mnx)	[CH3:1][O:14][C:9]1=[C:8]([OH:11])[CH:6]=[C:7](/[CH:3]=[CH:5]/[C:10](=[O:12])[OH:13])[CH:2]=[CH:4]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:27794 chebi:27794 QURCVMIEKCOAJU-HWKANZROSA-N	isoferulic acid (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid 3-Hydroxy-4-methoxycinnamic acid Hesperetic acid
seed.compound:cpd07356 seedM:cpd07356 sabiork.compound:12552 sabiorkM:12552 kegg.compound:C10470 keggC:C10470 QURCVMIEKCOAJU-HWKANZROSA-M QURCVMIEKCOAJU-HWKANZROSA-N	Isoferulic acid
hmdb:HMDB0000955 QURCVMIEKCOAJU-HWKANZROSA-N	Isoferulic acid (2E)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid (2E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoate (2E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoic acid (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid (e)-3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid (e)-3-Hydroxy-4-methoxycinnamic acid (e)-4-Methoxycaffeic acid (e)-4-O-Methylcaffeic acid (e)-Hesperetic acid (e)-Isoferulic acid 3'-Hydroxy-4'-methoxycinnamic acid 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoate 3-(3-Hydroxy-4-methoxyphenyl)-2-propenoic acid 3-Hydroxy-4-methoxy-cinnamate 3-Hydroxy-4-methoxy-cinnamic acid 3-Hydroxy-4-methoxycinnamate 3-Hydroxy-4-methoxycinnamic acid 4-Methoxycaffeic acid 4-O-Methylcaffeic acid Hesperetic acid Isoferulate isoferulic acid trans-3-Hydroxy-4-methoxycinnamic acid trans-4-Methoxycaffeic acid trans-4-O-Methylcaffeic acid trans-Hesperetic acid trans-Isoferulic acid
metacyc.compound:CPD-23420 metacycM:CPD-23420 QURCVMIEKCOAJU-HWKANZROSA-M	isoferulate (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate 3-hydroxy-4-methoxycinnamate hesperetic acid
hmdb:HMDB00955 chebi:24888 chebi:6010 keggC:M_C10470 seedM:M_cpd07356	secondary/obsolete/fantasy identifier