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Galactinol dihydrate

PropertiesImage
MNX_IDMNXM125827 Image of MNXM125827
referencechebi:88379
formulaC12H26O13
global charge0
mol weight378.327
InChIKeyHGCURVXTXVAIIR-XIENVMDPSA-N
InChIInChI=1S/C12H22O11.2H2O/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20;;/h2-21H,1H2;2*1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-;;/m1../s1
SMILESO.O.OC[C@H]1O[C@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C12H22O11.2H2O/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20;;/h2-21H,1H2;2*1H2/t2-,3+,4+,5?,6-,7+,8-,9-,10-,11?,12-;;/m1../s1 Image of MNXM125827
SMILES (mnx)[CH2:1]([C@@H:2]1[C@H:3]([OH:14])[C@H:4]([OH:15])[C@@H:10]([OH:21])[C@@H:12]([O:23][CH:11]2[C@H:8]([OH:19])[C@H:6]([OH:17])[CH:5]([OH:16])[C@H:7]([OH:18])[C@H:9]2[OH:20])[O:22]1)[OH:13].[OH2:24].[OH2:25]
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:88379
chebi:88379
HGCURVXTXVAIIR-XIENVMDPSA-N
Galactinol dihydrate
(1R,2R,4S,5R)-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol dihydrate
6-beta-Galactinol