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(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside

PropertiesImage
MNX_IDMNXM114923 Image of MNXM114923
referencechebi:168435
formulaC16H28O8
global charge0
mol weight348.392
InChIKeyXCEFCWBOZHJCAP-UHFFFAOYSA-N
InChIInChI=1S/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3
SMILESCC1(OC2OC(CO)C(O)C(O)C2O)CC(O)C2(C(C)(C)O)CC12
MNX internals
InChI (mnx)InChI=1/C16H28O8/c1-14(2,22)16-4-8(16)15(3,5-9(16)18)24-13-12(21)11(20)10(19)7(6-17)23-13/h7-13,17-22H,4-6H2,1-3H3/t7?,8?,9?,10?,11?,12?,13?,15?,16? Image of MNXM114923
SMILES (mnx)[CH3:1][C:14]([CH3:2])([C:16]12[CH2:4][CH:8]1[C:15]([CH3:3])([O:24][CH:13]1[CH:12]([OH:21])[CH:11]([OH:20])[CH:10]([OH:19])[CH:7]([CH2:6][OH:17])[O:23]1)[CH2:5][CH:9]2[OH:18])[OH:22]
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:168435
chebi:168435
XCEFCWBOZHJCAP-UHFFFAOYSA-N 		(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside
2-[[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methyl-2-bicyclo[3.1.0]hexanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
hmdb:HMDB0033645
XCEFCWBOZHJCAP-UHFFFAOYSA-N 		(1S,2S,4S,5S)-2,4,7-Thujanetriol 4-glucoside
2-{[4-hydroxy-5-(2-hydroxypropan-2-yl)-2-methylbicyclo[3.1.0]hexan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

hmdb:HMDB33645 		secondary/obsolete/fantasy identifier