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CHEBI:60076 - 6-O-sinapoyl-D-glucono-1,5-lactone

ChEBI IDCHEBI:60076
ChEBI Name6-O-sinapoyl-D-glucono-1,5-lactone
Stars
ASCII Name6-O-sinapoyl-D-glucono-1,5-lactone
DefinitionThe 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
Last Modified8 July 2020
SubmitterSteve
DownloadsMolfile
FormulaC17H20O10
Net Charge0
Average Mass384.337
Monoisotopic Mass384.10565
SMILESCOc1cc(/C=C/C(=O)OC[C@H]2OC(=O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O
InChIInChI=1S/C17H20O10/c1-24-9-5-8(6-10(25-2)13(9)19)3-4-12(18)26-7-11-14(20)15(21)16(22)17(23)27-11/h3-6,11,14-16,19-22H,7H2,1-2H3/b4-3+/t11-,14-,15+,16-/m1/s1
InChIKeyPYUYAAQFJLICNF-MXWIPWLSSA-N
Species of MetaboliteComponentSourceComments
Centella asiatica (ncbitaxon:48106) - MetaboLights (MTBLS175)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
6-O-sinapoyl-D-glucono-1,5-lactone (CHEBI:60076) has functional parent trans-sinapic acid (CHEBI:15714)
6-O-sinapoyl-D-glucono-1,5-lactone (CHEBI:60076) has functional parent D-glucono-1,5-lactone (CHEBI:16217)
6-O-sinapoyl-D-glucono-1,5-lactone (CHEBI:60076) has role plant metabolite (CHEBI:76924)
6-O-sinapoyl-D-glucono-1,5-lactone (CHEBI:60076) is a gluconolactone (CHEBI:24267)
IUPAC Name 
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Synonym  Source
6-O-sinapoylgluconolactoneChEBI
UniProt Name  Source
6-O-[(E)-sinapoyl]-D-glucono-1,5-lactoneUniProt