Myoinositol

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Systematic / IUPAC Name: (1R,2S,3r,4R,5S,6s)-Cyclohexane-1,2,3,4,5,6-hexol

ID: Reference13894

Other Names: AA-4393

Formula: C6H12O6

Class: Therapeutics/Prescription Drugs Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics

Spectral Data

Myoinositol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 604
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/5/2026 8:57:53 AM
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Identificators

InChI 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 Key CDAISMWEOUEBRE-GPIVLXJGSA-N
Canonical SMILES O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O
CAS
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Other Names AA-4393

In Other Databases

PubChem
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