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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-11-01 17:50:48 UTC
Update Date2022-03-07 03:18:13 UTC
HMDB IDHMDB0240207
Secondary Accession NumbersNone
Metabolite Identification
Common Nameepi-Inositol
Descriptionepi-Inositol is an inositol isoform. Inositol is a derivative of cyclohexane with six hydroxyl groups, making it a polyol. It also is known as a sugar alcohol, having exactly the same molecular formula as glucose or other hexoses. Inositol exists in nine possible stereoisomers, including scyllo-inositol, myo-inositol (the most abundant), muco-inositol, D-chiro-inositol, L-chiro-inositol, neo-inositol, allo-inositol, epi-inositol, and cis-inositol. In humans, most inositol is synthesized in the kidneys, typically in amounts of a few grams per day.
Structure
Data?1573148018
Synonyms
ValueSource
(1R,2R,3R,4S,5S,6S)-Cyclohexane-1,2,3,4,5,6-hexolChEBI
1,2,3,4,5/6-cyclohexanehexolChEBI
(1R,2R,3R,4R,5R,6R)-Cyclohexane-1,2,3,4,5,6-hexolHMDB
1,3,5/2,4,6-cyclohexanehexolHMDB
CocositolHMDB
Cyclohexane-1,2,3,4,5,6-hexolHMDB
Epi-inositolHMDB
QuercinitolHMDB
epi-CyclohexanehexolHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(1R,2S,3r,4R,5S,6s)-cyclohexane-1,2,3,4,5,6-hexol
Traditional Name(+)-inositol
CAS Registry Number488-58-4
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6+
InChI KeyCDAISMWEOUEBRE-NIPYSYMMSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentCyclohexanols
Alternative Parents
Substituents
  • Cyclohexanol
  • Sugar alcohol
  • Cyclitol or derivatives
  • Cyclic alcohol
  • Polyol
  • Hydrocarbon derivative
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.6ALOGPS
logP-3.8ChemAxon
logS0.43ALOGPS
pKa (Strongest Acidic)12.29ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.78 m³·mol⁻¹ChemAxon
Polarizability16.05 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M-H]-129.53131661259
AllCCS[M+H]+142.2531661259
DeepCCS[M+H]+143.6830932474
DeepCCS[M-H]-141.28530932474
DeepCCS[M-2H]-175.95530932474
DeepCCS[M+Na]+150.30330932474
AllCCS[M+H]+142.332859911
AllCCS[M+H-H2O]+138.132859911
AllCCS[M+NH4]+146.132859911
AllCCS[M+Na]+147.232859911
AllCCS[M-H]-129.532859911
AllCCS[M+Na-2H]-130.532859911
AllCCS[M+HCOO]-131.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
epi-InositolO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O3553.7Standard polar33892256
epi-InositolO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O2007.7Standard non polar33892256
epi-InositolO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O1920.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
epi-Inositol,1TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O1743.3Semi standard non polar33892256
epi-Inositol,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O1743.3Semi standard non polar33892256
epi-Inositol,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O1743.3Semi standard non polar33892256
epi-Inositol,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O1743.3Semi standard non polar33892256
epi-Inositol,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O1743.3Semi standard non polar33892256
epi-Inositol,1TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O1743.3Semi standard non polar33892256
epi-Inositol,2TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #10C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #11C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1721.1Semi standard non polar33892256
epi-Inositol,2TMS,isomer #12C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1735.0Semi standard non polar33892256
epi-Inositol,2TMS,isomer #13C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #14C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1721.1Semi standard non polar33892256
epi-Inositol,2TMS,isomer #15C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #2C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1721.1Semi standard non polar33892256
epi-Inositol,2TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O1735.0Semi standard non polar33892256
epi-Inositol,2TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O1721.1Semi standard non polar33892256
epi-Inositol,2TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1708.2Semi standard non polar33892256
epi-Inositol,2TMS,isomer #7C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H]1O1721.1Semi standard non polar33892256
epi-Inositol,2TMS,isomer #8C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1735.0Semi standard non polar33892256
epi-Inositol,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1721.1Semi standard non polar33892256
epi-Inositol,3TMS,isomer #1C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #11C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H]1O1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #12C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #13C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #14C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1780.1Semi standard non polar33892256
epi-Inositol,3TMS,isomer #15C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #16C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #17C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #18C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #19C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #2C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #20C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1686.0Semi standard non polar33892256
epi-Inositol,3TMS,isomer #5C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1780.1Semi standard non polar33892256
epi-Inositol,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O1735.6Semi standard non polar33892256
epi-Inositol,3TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1735.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #11C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1858.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #12C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #13C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1854.5Semi standard non polar33892256
epi-Inositol,4TMS,isomer #14C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1858.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #15C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #2C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1858.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1854.5Semi standard non polar33892256
epi-Inositol,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1858.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1804.7Semi standard non polar33892256
epi-Inositol,4TMS,isomer #7C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1858.6Semi standard non polar33892256
epi-Inositol,4TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1854.5Semi standard non polar33892256
epi-Inositol,4TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O1858.6Semi standard non polar33892256
epi-Inositol,5TMS,isomer #1C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1934.2Semi standard non polar33892256
epi-Inositol,5TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C1934.2Semi standard non polar33892256
epi-Inositol,5TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1934.2Semi standard non polar33892256
epi-Inositol,5TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C1934.2Semi standard non polar33892256
epi-Inositol,5TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O1934.2Semi standard non polar33892256
epi-Inositol,5TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1934.2Semi standard non polar33892256
epi-Inositol,6TMS,isomer #1C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2009.2Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O2020.4Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O2020.4Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O2020.4Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O2020.4Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O2020.4Semi standard non polar33892256
epi-Inositol,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O2020.4Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2206.2Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2236.9Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2206.2Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2206.2Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2236.9Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O2206.2Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2193.7Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]1O2206.2Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2236.9Semi standard non polar33892256
epi-Inositol,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2206.2Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H]1O2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2511.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2456.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2511.9Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2490.3Semi standard non polar33892256
epi-Inositol,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2490.3Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2733.1Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2735.3Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2733.1Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2733.1Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2735.3Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2733.1Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2713.4Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2733.1Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2735.3Semi standard non polar33892256
epi-Inositol,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2733.1Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2931.4Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2931.4Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2931.4Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2931.4Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2931.4Semi standard non polar33892256
epi-Inositol,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2931.4Semi standard non polar33892256
epi-Inositol,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C3172.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - epi-Inositol GC-MS (Non-derivatized) - 70eV, Positivesplash10-03dr-9700000000-6cc8567e1b238f96f9262017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - epi-Inositol GC-MS (6 TMS) - 70eV, Positivesplash10-00fr-9001040000-00e67b437c4329aee95d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - epi-Inositol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - epi-Inositol Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-000b-9700000000-330e2df8df8562e944f92012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - epi-Inositol Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0002-9100000000-126dbfb7ce2da687d09f2012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - epi-Inositol Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0a4j-9000000000-c5c2ae010c0a31be06f32012-07-25HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 10V, Positive-QTOFsplash10-001i-0900000000-7c41046f5cd7ac51aeda2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 20V, Positive-QTOFsplash10-001i-0900000000-43d319e5d29dbbb36c382017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 40V, Positive-QTOFsplash10-08gl-8900000000-829257b7deb866db4ef22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 10V, Negative-QTOFsplash10-004i-0900000000-6d453252588a04df86242017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 20V, Negative-QTOFsplash10-004i-0900000000-749e1b0857cad96ba8a22017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 40V, Negative-QTOFsplash10-056r-9200000000-7201474b84312a32a9662017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 10V, Positive-QTOFsplash10-001i-0900000000-a3b1806f4d2d4bc9e4702021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 20V, Positive-QTOFsplash10-03e9-9500000000-40e1f34ad1ad2b894cd92021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 40V, Positive-QTOFsplash10-03dl-9000000000-5d72027b1e4acffd4c292021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 10V, Negative-QTOFsplash10-004i-0900000000-c98742ed2c27fed8805b2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 20V, Negative-QTOFsplash10-0570-9700000000-4e8df481dc1f1c1247432021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - epi-Inositol 40V, Negative-QTOFsplash10-0a4i-9000000000-ea5996664694b27554a82021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023828
KNApSAcK IDC00052408
Chemspider ID10254648
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkScyllo-Inositol
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID23927
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available