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5-Hydroxytryptophol glucuronide

MNXM38161 is deprecated and here replaced by MNXM735149
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735149 Image of MNXM735149
referencechebi:166506
formulaC16H21NO7
global charge0
mol weight339.344
InChIKeyMYNVMBICAGQOMG-LJIZCISZSA-N
InChIInChI=1S/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1
SMILESOCCC1=CNC2=C1C=C(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C2
MNX internals
InChI (mnx)InChI=1/C16H21NO7/c18-4-3-8-6-17-11-2-1-9(5-10(8)11)23-16-15(22)14(21)13(20)12(7-19)24-16/h1-2,5-6,12-22H,3-4,7H2/t12-,13-,14+,15-,16+/m1/s1 Image of MNXM735149
SMILES (mnx)[CH:1]1=[CH:2][C:11]2=[C:10]([CH:5]=[C:9]1[O:23][C@@H:16]1[C@H:15]([OH:22])[C@@H:14]([OH:21])[C@H:13]([OH:20])[C@@H:12]([CH2:7][OH:19])[O:24]1)[C:8]([CH2:3][CH2:4][OH:18])=[CH:6][NH:17]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:166506
chebi:166506
MYNVMBICAGQOMG-LJIZCISZSA-N 		5-Hydroxytryptophol glucuronide
(2R,3R,4S,5S,6R)-2-[[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0013200
MYNVMBICAGQOMG-LJIZCISZSA-N 		5-Hydroxytryptophol glucuronide
(2R,3R,4S,5S,6R)-2-{[3-(2-hydroxyethyl)-1H-indol-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5 Hydroxytryptophol glucuronide

hmdb:HMDB13200 		secondary/obsolete/fantasy identifier