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Xanthurenate-8-O-beta-D-glucoside

MNXM89165 is deprecated and here replaced by MNXM1104908
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1104908 Image of MNXM1104908
referencechebi:179661
formulaC16H17NO9
global charge0
mol weight367.31
InChIKeyMYFHOUJDPFBJLH-XGJKELJWSA-N
InChIInChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1
SMILESO=C(O)C1=CC(=O)C2=CC=CC(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)=C2N1
MNX internals
InChI (mnx)InChI=1/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1 Image of MNXM1104908
SMILES (mnx)[CH:1]1=[CH:2][C:6]2=[C:8]([OH:19])[CH:4]=[C:7]([C:15](=[O:23])[OH:24])[N:17]=[C:11]2[C:9]([O:25][C@H:16]2[C@@H:14]([OH:22])[C@@H:13]([OH:21])[C@@H:12]([OH:20])[C@@H:10]([CH2:5][OH:18])[O:26]2)=[CH:3]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:179661
chebi:179661
MYFHOUJDPFBJLH-XGJKELJWSA-N 		Xanthurenate-8-O-beta-D-glucoside
4-oxo-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid

bigg.metabolite:CE2947
biggM:CE2947
MYFHOUJDPFBJLH-XGJKELJWSA-M 		Xanthurenate-8-O-beta-D-glucoside
hmdb:HMDB0013118
MYFHOUJDPFBJLH-XGJKELJWSA-N 		Xanthurenate-8-O-beta-D-glucoside
4,8-Dihydroxy-8-O-beta-D-glucoside-quinaldic acid anion
4,8-Dihydroxy-8-O-beta-D-glucoside-quinoline-2-carboxylic acid anion
4,8-Dihydroxy-8-O-beta-delta-glucoside-quinaldic acid anion
4,8-Dihydroxy-8-O-beta-delta-glucoside-quinoline-2-carboxylic acid anion
4,8-Dihydroxyquinaldic acid 8-O-beta-D-glucoside
4,8-Dihydroxyquinaldic acid 8-O-beta-delta-glucoside
4,8-Dihydroxyquinoline-2-carboxylic acid 8-O-beta-D-glucoside
4,8-Dihydroxyquinoline-2-carboxylic acid 8-O-beta-delta-glucoside
4-Hydroxy-8-{[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}quinoline-2-carboxylate
4-hydroxy-8-{[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}quinoline-2-carboxylic acid
Cardinalic acid
Xan8GLC
Xanthurenate-8-O-b-D-glucoside
Xanthurenic acid 8-O-beta-D-glucoside
Xanthurenic acid 8-O-beta-delta-glucoside
Xanthurenic acid 8-O-glucoside
Xanthurenic acid-8-O-b-D-glucoside
Xanthurenic acid-8-O-beta-D-glucoside

vmhM:CE2947
vmhmetabolite:CE2947
MYFHOUJDPFBJLH-XGJKELJWSA-M 		xanthurenate-8-O-beta-D-glucoside

hmdb:HMDB13118
biggM:M_CE2947
vmhM:M_CE2947 		secondary/obsolete/fantasy identifier