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4-O-(beta-D-glucosyl)-4-trans-sinapoyl aldehyde

PropertiesImage
MNX_IDMNXM21755 Image of MNXM21755
referencechebi:142126
formulaC17H22O9
global charge0
mol weight370.354
InChIKeyOYTCTPHTVUEGCL-GCPOEHJPSA-N
InChIInChI=1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
SMILESCOC1=CC(/C=C/C=O)=CC(OC)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 Image of MNXM21755
SMILES (mnx)[CH3:1][O:23][C:10]1=[C:16]([O:26][C@H:17]2[C@H:15]([OH:22])[C@@H:14]([OH:21])[C@H:13]([OH:20])[C@@H:12]([CH2:8][OH:19])[O:25]2)[C:11]([O:24][CH3:2])=[CH:7][C:9](/[CH:4]=[CH:3]/[CH:5]=[O:18])=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142126
chebi:142126
OYTCTPHTVUEGCL-GCPOEHJPSA-N 		4-O-(beta-D-glucosyl)-4-trans-sinapoyl aldehyde
(E)-sinapaldehyde 4-O-beta-D-glucopyranoside
(E)-sinapaldehyde glucopyranoside
(E)-sinapic aldehyde 4-O-beta-D-glucopyranoside
(E)-sinapyl aldehyde 4-O-beta-D-glucopyranoside
2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranoside
4-O-(beta-D-glucosyl)-trans-sinapyl aldehyde
sinapaldehyde glucoside
sinapic aldehyde glucoside
sinapyl aldehyde glucoside
trans-4-O-(beta-D-glucosyl)-sinapoyl aldehyde
trans-sinapaldehyde 4-O-beta-D-glucopyranoside
trans-sinapaldehyde beta-D-glucoside
trans-sinapaldehyde glucoside
trans-sinapic aldehyde 4-O-beta-D-glucopyranoside
trans-sinapyl aldehyde 4-O-beta-D-glucopyranoside

sabiork.compound:25949
sabiorkM:25949 		Sinapyl aldehyde-4-O-beta-D-glucopyranoside

metacyc.compound:CPD-79
metacycM:CPD-79
seed.compound:cpd24956
seedM:cpd24956
OYTCTPHTVUEGCL-GCPOEHJPSA-N 		sinapaldehyde glucoside
sinapyl aldehyde-4-O-beta-D-glucopyranoside

seedM:M_cpd24956 		secondary/obsolete/fantasy identifier