CHEBI:182999 - beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-

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ChEBI Name beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]-
ChEBI ID CHEBI:182999
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18O8
Net Charge 0
Average Mass 326.301
Monoisotopic Mass 326.10017
InChI InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(22-10)23-11(18)6-5-8-3-1-2-4-9(8)17/h1-6,10,12-17,19-21H,7H2/b6-5+/t10-,12-,13+,14-,15+/m1/s1
InChIKey KDNJTHIKZATBIB-HKIVJWRYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/C=2C(O)=CC=CC2)CO
Metabolite of Species Details
Cucumis melo (NCBI:txid3656) Found in seed (BTO:0001226). See: MetaboLights Study
ChEBI Ontology
Outgoing beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]- (CHEBI:182999) has functional parent hydroxycinnamic acid (CHEBI:24689)
beta-D-Glucopyranose, 1-O-[(2E)-3-(2-hydroxyphenyl)-1-oxo-2-propen-1-yl]- (CHEBI:182999) is a glycoside (CHEBI:24400)
IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(2-hydroxyphenyl)prop-2-enoate
Manual Xref Database
22913130 ChemSpider
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