EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:168051 - (3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

ChEBI IDCHEBI:168051
ChEBI Name(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O9
Net Charge0
Average Mass356.327
Monoisotopic Mass356.11073
SMILESCOc1cc(/C=C/C(=O)OCC2OC(O)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C16H20O9/c1-23-10-6-8(2-4-9(10)17)3-5-12(18)24-7-11-13(19)14(20)15(21)16(22)25-11/h2-6,11,13-17,19-22H,7H2,1H3/b5-3+
InChIKeyLVNFIOGAAUPIPC-HWKANZROSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CHEBI:168051) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(3,4,5,6-tetrahydroxyoxan-2-yl)methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Manual XrefsDatabases
HMDB0125187HMDB