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1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate

PropertiesImage
MNX_IDMNXM32416 Image of MNXM32416
referencechebi:169367
formulaC17H22N2O7
global charge0
mol weight366.37
InChIKeyLCHFAYIGHOVWSA-UHFFFAOYSA-N
InChIInChI=1S/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)
SMILESO=C(O)C1CC2=C(NC3=C2C=CC=C3)C(C(O)C(O)C(O)C(O)CO)N1
MNX internals
InChI (mnx)InChI=1/C17H22N2O7/c20-6-11(21)14(22)16(24)15(23)13-12-8(5-10(19-13)17(25)26)7-3-1-2-4-9(7)18-12/h1-4,10-11,13-16,18-24H,5-6H2,(H,25,26)/t10?,11?,13?,14?,15?,16? Image of MNXM32416
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:9]2[C:7](=[CH:3]1)[C:8]1=[C:12]([CH:13]([CH:15]([CH:16]([CH:14]([CH:11]([CH2:6][OH:20])[OH:21])[OH:22])[OH:24])[OH:23])[NH:19][CH:10]([C:17](=[O:25])[OH:26])[CH2:5]1)[NH:18]2
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:169367
chebi:169367
LCHFAYIGHOVWSA-UHFFFAOYSA-N 		1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
1-(1,2,3,4,5-pentahydroxypentyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
hmdb:HMDB0012492
LCHFAYIGHOVWSA-UHFFFAOYSA-N 		1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
1,2,3,4-Tetrahydro-1-(1,2,3,4,5-pentahydroxypentyl)-b-carboline-3-carboxylic acid
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylate
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-b-carboline-3-carboxylic acid
1-(1,2,3,4,5-Pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid
1-(1,2,3,4,5-Pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
1-C-(3-Carboxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pentitol, 9ci

bigg.metabolite:CE3140
biggM:CE3140
LCHFAYIGHOVWSA-UHFFFAOYSA-N 		1-(1,2,3,4,5-pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate

vmhM:CE3140
vmhmetabolite:CE3140
LCHFAYIGHOVWSA-UHFFFAOYSA-N 		1-(1,2,3,4,5-pentahydroxypent-1-yl)-1,2,3,4-tetrahydro-beta-carboline-3-carboxylate
1-(1,2,3,4,5-pentahydroxypentyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

hmdb:HMDB12492
biggM:M_CE3140
vmhM:M_CE3140 		secondary/obsolete/fantasy identifier