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CHEBI:172561 - Linocinnamarin

ChEBI IDCHEBI:172561
ChEBI NameLinocinnamarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O8
Net Charge0
Average Mass340.328
Monoisotopic Mass340.11582
SMILESCOC(=O)/C=C/c1ccc(OC2OC(CO)C(O)C(O)C2O)cc1
InChIInChI=1S/C16H20O8/c1-22-12(18)7-4-9-2-5-10(6-3-9)23-16-15(21)14(20)13(19)11(8-17)24-16/h2-7,11,13-17,19-21H,8H2,1H3/b7-4+
InChIKeyKPYQJVYNSWDFQU-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Linocinnamarin (CHEBI:172561) is a glycoside (CHEBI:24400)
IUPAC Name 
methyl (E)-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Manual XrefsDatabases
HMDB0030678HMDB