Linustatin

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Systematic / IUPAC Name: 2-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-2-methylpropanenitrile

ID: Reference3426

Other Names: 2-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methylpropanenitrile ;
Propanenitrile, 2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methyl-

Formula: C16H27NO11

Class: Endogenous Metabolites

Spectral Data

Linustatin 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 Elite
No. of Spectral Trees 1
No. of Spectra 175
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/26/2015 6:40:01 AM
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Identificators

InChI InChI=1S/C16H27NO11/c1-16(2,5-17)28-15-13(24)11(22)9(20)7(27-15)4-25-14-12(23)10(21)8(19)6(3-18)26-14/h6-15,18-24H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15+/m1/s1
InChI Key FERSMFQBWVBKQK-CXTTVELOSA-N
Canonical SMILES CC(C)(C#N)OC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O
CAS 72229404
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Other Names 2-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methylpropanenitrile ;
Propanenitrile, 2-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2-methyl-

In Other Databases

PubChem 119301
ChemSpider 106563
KEGG C08333
ChEBI CHEBI:6483
ChemIDPlus 072229404