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icas#6.2

PropertiesImage
MNX_IDMNXM1130841 Image of MNXM1130841
referencelipidmapsM:LMFA13040131
formulaC21H29NO6
global charge0
mol weight391.464
InChIKeyQMIWMBOAIXYIKO-GNGVNREASA-N
InChIInChI=1S/C21H29NO6/c1-12(23)8-9-13(2)26-21-18(24)10-19(14(3)27-21)28-20(25)16-11-22-17-7-5-4-6-15(16)17/h4-7,11-14,18-19,21-24H,8-10H2,1-3H3/t12-,13+,14-,18+,19+,21+/m0/s1
SMILESC[C@H](O)CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](OC(=O)C2=CNC3=CC=CC=C32)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H29NO6/c1-12(23)8-9-13(2)26-21-18(24)10-19(14(3)27-21)28-20(25)16-11-22-17-7-5-4-6-15(16)17/h4-7,11-14,18-19,21-24H,8-10H2,1-3H3/t12-,13+,14-,18+,19+,21+/m0/s1 Image of MNXM1130841
SMILES (mnx)[CH3:1][C@@H:12]([CH2:8][CH2:9][C@@H:13]([CH3:2])[O:26][C@H:21]1[C@H:18]([OH:24])[CH2:10][C@@H:19]([O:28][C:20]([C:16]2=[CH:11][NH:22][C:17]3=[CH:7][CH:5]=[CH:4][CH:6]=[C:15]23)=[O:25])[C@H:14]([CH3:3])[O:27]1)[OH:23]
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

lipidmaps:LMFA13040131
lipidmapsM:LMFA13040131
QMIWMBOAIXYIKO-GNGVNREASA-N 		icas#6.2
(2S,3R,5R,6R)-5-hydroxy-6-(((2S,5R)-5-hydroxyhexan-2-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl-1H-indole-3-carboxylate
5R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-hexan-2S-ol