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Ethylvanillin glucoside

PropertiesImage
MNX_IDMNXM125566 Image of MNXM125566
referencechebi:168510
formulaC15H20O8
global charge0
mol weight328.317
InChIKeySWESETWDPGZBCR-UHFFFAOYSA-N
InChIInChI=1S/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3
SMILESCCOC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(C=O)=C1
MNX internals
InChI (mnx)InChI=1/C15H20O8/c1-2-21-10-5-8(6-16)3-4-9(10)22-15-14(20)13(19)12(18)11(7-17)23-15/h3-6,11-15,17-20H,2,7H2,1H3/t11?,12?,13?,14?,15? Image of MNXM125566
SMILES (mnx)[CH3:1][CH2:2][O:21][C:10]1=[C:9]([O:22][CH:15]2[CH:14]([OH:20])[CH:13]([OH:19])[CH:12]([OH:18])[CH:11]([CH2:7][OH:17])[O:23]2)[CH:4]=[CH:3][C:8]([CH:6]=[O:16])=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168510
chebi:168510
SWESETWDPGZBCR-UHFFFAOYSA-N
Ethylvanillin glucoside
3-ethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde
hmdb:HMDB0037682
SWESETWDPGZBCR-UHFFFAOYSA-N
Ethylvanillin glucoside
3-ethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzaldehyde

hmdb:HMDB37682
secondary/obsolete/fantasy identifier