CHEBI:91208 - (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid
ChEBI ID CHEBI:91208
ChEBI ASCII Name (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H22O11S
Net Charge 0
Average Mass 470.449
Monoisotopic Mass 470.08828
InChI InChI=1S/C20H22O11S/c1-28-16-10-13(5-6-14(16)21)20(24)18(11-30-32(25,26)27)31-15-7-3-12(4-8-19(22)23)9-17(15)29-2/h3-10,18,20-21,24H,11H2,1-2H3,(H,22,23)(H,25,26,27)/b8-4+
InChIKey NQYMUJFPNPYYIG-XBXARRHUSA-N
SMILES C=1C(=C(C=CC1/C=C/C(O)=O)OC(COS(O)(=O)=O)C(O)C=2C=C(C(=CC2)O)OC)OC
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: PubMed
Arabidopsis thaliana (NCBI:txid3702) Found in root (BTO:0001188). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via guaiacyl lignin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) has functional parent ferulic acid (CHEBI:17620)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) has functional parent guaiacylglycerol (CHEBI:53663)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) has role plant metabolite (CHEBI:76924)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a alkyl sulfate (CHEBI:29281)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a guaiacyl lignin (CHEBI:64475)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a methoxycinnamic acid (CHEBI:61407)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a monomethoxybenzene (CHEBI:25235)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a phenols (CHEBI:33853)
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid (CHEBI:91208) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2E)-3-(4-{[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(sulfooxy)propan-2-yl]oxy}-3-methoxyphenyl)prop-2-enoic acid
Synonym Source
G(8-O-4)FA Sulfate ChEBI
Last Modified
14 July 2016