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(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside

PropertiesImage
MNX_IDMNXM114924 Image of MNXM114924
referencechebi:174510
formulaC16H28O7
global charge0
mol weight332.393
InChIKeyHVTLBEUPVKSBIB-UHFFFAOYSA-N
InChIInChI=1S/C16H28O7/c1-7(2)16-4-9(16)15(3,5-10(16)18)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3
SMILESCC(C)C12CC1C(C)(OC1OC(CO)C(O)C(O)C1O)CC2O
MNX internals
InChI (mnx)InChI=1/C16H28O7/c1-7(2)16-4-9(16)15(3,5-10(16)18)23-14-13(21)12(20)11(19)8(6-17)22-14/h7-14,17-21H,4-6H2,1-3H3/t8?,9?,10?,11?,12?,13?,14?,15?,16? Image of MNXM114924
SMILES (mnx)[CH3:1][CH:7]([CH3:2])[C:16]12[CH2:4][CH:9]1[C:15]([CH3:3])([O:23][CH:14]1[CH:13]([OH:21])[CH:12]([OH:20])[CH:11]([OH:19])[CH:8]([CH2:6][OH:17])[O:22]1)[CH2:5][CH:10]2[OH:18]
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:174510
chebi:174510
HVTLBEUPVKSBIB-UHFFFAOYSA-N 		(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside
2-(hydroxymethyl)-6-[(4-hydroxy-2-methyl-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)oxy]oxane-3,4,5-triol
hmdb:HMDB0033644
HVTLBEUPVKSBIB-UHFFFAOYSA-N 		(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-Glucopyranoside
(1S,2S,4S,5S)-2,4-Thujanediol 4-O-b-D-glucopyranoside
(1S,2S,4S,5S)-2,4-Thujanediol 4-O-beta-D-glucopyranoside
2-({4-hydroxy-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
2-{[4-hydroxy-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

hmdb:HMDB33644 		secondary/obsolete/fantasy identifier