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

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ChEBI Name 6-O-sinapoyl-D-glucono-1,5-lactone
ChEBI ID CHEBI:60076
ChEBI ASCII Name 6-O-sinapoyl-D-glucono-1,5-lactone
Definition The 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C17H20O10
Net Charge 0
Average Mass 384.33470
Monoisotopic Mass 384.10565
InChI InChI=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
InChIKey PYUYAAQFJLICNF-MXWIPWLSSA-N
SMILES COc1cc(cc(OC)c1O)\C=C\C(=O)OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
Metabolite of Species Details
Centella asiatica (NCBI:txid48106) See: MetaboLights Study
Roles Classification
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Synonyms Sources
6-O-[(E)-sinapoyl]-D-glucono-1,5-lactone UniProt
6-O-sinapoylgluconolactone ChEBI
Last Modified
08 July 2020