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

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(E)-ferulate

	Properties	Image
MNX_ID	MNXM573
reference	chebi:29749
formula	C₁₀H₉O₄
global charge	-1
mol weight	193.178
InChIKey	KSEBMYQBYZTDHS-HWKANZROSA-M
InChI	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/p-1/b5-3+
SMILES	COC1=CC(/C=C/C(=O)[O-])=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(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:4]=[CH:2][C:7](/[CH:3]=[CH:5]/[C:10](=[O:12])[OH:13])=[CH:6]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	46
in models (compartimentalized)	18

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29749 chebi:29749 KSEBMYQBYZTDHS-HWKANZROSA-M	(E)-ferulate (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 3-methoxy-4-hydroxy-trans-cinnamate trans-ferulate
bigg.metabolite:fer biggM:fer	Ferulate
vmhM:frlt vmhmetabolite:frlt KSEBMYQBYZTDHS-HWKANZROSA-N	Ferulate (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
seed.compound:cpd01059 seedM:cpd01059 KSEBMYQBYZTDHS-HWKANZROSA-M	Ferulate 3-Methoxy-4-hydroxy-trans-cinnamate 3-methoxy-4-hydroxy-trans-cinnamate 3-methoxy-4-hydroxycinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid Ferulic acid caffeic acid 3-methyl ether ferulate ferulic acid frlt
kegg.compound:C01494 keggC:C01494 KSEBMYQBYZTDHS-HWKANZROSA-N	Ferulate 3-Methoxy-4-hydroxy-trans-cinnamate 4-Hydroxy-3-methoxycinnamate 4-Hydroxy-3-methoxycinnamic acid Ferulic acid
sabiork.compound:5619 sabiorkM:5619 KSEBMYQBYZTDHS-HWKANZROSA-N	Ferulate 3-Methoxy-4-hydroxy-trans-cinnamate 4-Hydroxy-3-methoxycinnamic acid Ferulic acid
envipath:...53e472dac848 envipathM:...53e472dac848 KSEBMYQBYZTDHS-HWKANZROSA-N	Ferulic Acid
hmdb:HMDB0000954 KSEBMYQBYZTDHS-HWKANZROSA-N	Ferulic acid (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-acrylic acid (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate (2E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (E)-3-(4-Hydroxy-3-methoxyphenyl)acrylic acid (e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate (e)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (e)-4'-Hydroxy-3'-methoxycinnamate (e)-4'-Hydroxy-3'-methoxycinnamic acid (e)-4-Hydroxy-3-methoxy-cinnamate (e)-4-Hydroxy-3-methoxy-cinnamic acid (e)-4-Hydroxy-3-methoxycinnamate (e)-4-Hydroxy-3-methoxycinnamic acid (e)-Ferulate (e)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoate 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-Methoxy-4-hydroxy-trans-cinnamate 3-Methoxy-4-hydroxy-trans-cinnamic acid 3-Methoxy-4-hydroxycinnamic acid 4'-Hydroxy-3'-methoxycinnamic acid 4-Hydroxy-3-methoxycinnamate 4-Hydroxy-3-methoxycinnamic acid 8,8'-Diferulic acid Coniferic acid Ferulaic acid Ferulate Ferulic acid, (Z)-isomer Ferulic acid, (e)-isomer Ferulic acid, monosodium salt Fumalic acid Sodium ferulate ferulic acid trans-4-Hydroxy-3-methoxycinnamate trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulate
metacyc.compound:FERULIC-ACID metacycM:FERULIC-ACID KSEBMYQBYZTDHS-HWKANZROSA-M	ferulate 4-hydroxy-3-methoxycinnamate 4-hydroxy-3-methoxycinnamic acid caffeic acid 3-methyl ether ferulic acid
CHEBI:17620 chebi:17620 KSEBMYQBYZTDHS-HWKANZROSA-N	trans-ferulic acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (E)-4'-hydroxy-3'-methoxycinnamic acid (E)-4-Hydroxy-3-methoxycinnamic acid (E)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid Ferulic acid trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid
hmdb:HMDB0000537 hmdb:HMDB00537 hmdb:HMDB00954 chebi:11848 chebi:14259 chebi:14260 chebi:24029 chebi:24030 chebi:42445 chebi:5046 biggM:M_fer keggC:M_C01494 seedM:M_cpd01059 vmhM:M_frlt	secondary/obsolete/fantasy identifier