RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0118276
RefMet name1,2-Anhydro-myo-inositol
Systematic name(1R,2R,3S,4S,5R,6S)-7-oxabicyclo[4.1.0]heptane-2,3,4,5-tetrol
SynonymsPubChem Synonyms
Exact mass162.052825 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H10O5View other entries in RefMet with this formula
Molecular descriptors
Molfile49883 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H10O5/c7-1-2(8)4(10)6-5(11-6)3(1)9/h1-10H/t1-,2-,3+,4+,5-,6+/m0/s1
InChIKeyZHMWOVGZCINIHW-FTYOSCRSSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILES[C@@H]1([C@@H]([C@H]([C@@H]2[C@H]([C@@H]1O)O2)O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic oxygen compounds
Main ClassAlcohols and polyols
Sub ClassInositols
Distribution of 1,2-Anhydro-myo-inositol in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 1,2-Anhydro-myo-inositol
External Links
Pubchem CID119054
ChEBI ID67233
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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