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Bufotenine O-glucoside

PropertiesImage
MNX_IDMNXM119911 Image of MNXM119911
referencechebi:175699
formulaC18H26N2O6
global charge0
mol weight366.414
InChIKeyGNUFCIHWKPAEBF-UHFFFAOYSA-N
InChIInChI=1S/C18H26N2O6/c1-20(2)6-5-10-8-19-13-4-3-11(7-12(10)13)25-18-17(24)16(23)15(22)14(9-21)26-18/h3-4,7-8,14-19,21-24H,5-6,9H2,1-2H3
SMILESCN(C)CCC1=CNC2=C1C=C(OC1OC(CO)C(O)C(O)C1O)C=C2
MNX internals
InChI (mnx)InChI=1/C18H26N2O6/c1-20(2)6-5-10-8-19-13-4-3-11(7-12(10)13)25-18-17(24)16(23)15(22)14(9-21)26-18/h3-4,7-8,14-19,21-24H,5-6,9H2,1-2H3/t14?,15?,16?,17?,18? Image of MNXM119911
SMILES (mnx)[CH3:1][N:20]([CH3:2])[CH2:6][CH2:5][C:10]1=[CH:8][NH:19][C:13]2=[C:12]1[CH:7]=[C:11]([O:25][CH:18]1[CH:17]([OH:24])[CH:16]([OH:23])[CH:15]([OH:22])[CH:14]([CH2:9][OH:21])[O:26]1)[CH:3]=[CH:4]2
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:175699
chebi:175699
GNUFCIHWKPAEBF-UHFFFAOYSA-N
Bufotenine O-glucoside
2-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0029564
GNUFCIHWKPAEBF-UHFFFAOYSA-N
Bufotenine O-glucoside
2-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

hmdb:HMDB29564
secondary/obsolete/fantasy identifier