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6-O-[(E)-sinapoyl]-D-glucono-1,5-lactone

PropertiesImage
MNX_IDMNXM4418 Image of MNXM4418
referencechebi:60076
formulaC17H20O10
global charge0
mol weight384.337
InChIKeyPYUYAAQFJLICNF-MXWIPWLSSA-N
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
SMILESCOC1=CC(/C=C/C(=O)OC[C@H]2OC(=O)[C@H](O)[C@@H](O)[C@@H]2O)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4418
SMILES (mnx)[CH3:1][O:24][C:9]1=[C:13]([OH:19])[C:10]([O:25][CH3:2])=[CH:6][C:8](/[CH:3]=[CH:4]/[C:12](=[O:18])[O:26][CH2:7][C@@H:11]2[C@@H:14]([OH:20])[C@H:15]([OH:21])[C@@H:16]([OH:22])[C:17](=[O:23])[O:27]2)=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60076
chebi:60076
PYUYAAQFJLICNF-MXWIPWLSSA-N 		6-O-[(E)-sinapoyl]-D-glucono-1,5-lactone
6-O-sinapoyl-D-glucono-1,5-lactone
6-O-sinapoylgluconolactone
[(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