5-Hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxotetrahydro-2-furanyl)-2,3-dihydro-4H-chromen-4-one

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Systematic / IUPAC Name: 5-Hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxotetrahydro-2-furanyl)-2,3-dihydro-4H-chromen-4-one

ID: Reference7593

Other Names: 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(tetrahydro-5-oxo-2-furanyl)-

Formula: C15H16O6

Spectral Data

5-Hydroxy-7-(hydroxymethyl)-2-methyl-2-(5-oxotetrahydro-2-furanyl)-2,3-dihydro-4H-chromen-4-one 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 Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/20/2018 12:54:11 PM
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Identificators

InChI InChI=1S/C15H16O6/c1-15(12-2-3-13(19)20-12)6-10(18)14-9(17)4-8(7-16)5-11(14)21-15/h4-5,12,16-17H,2-3,6-7H2,1H3
InChI Key UTMLPTPULBHGMZ-UHFFFAOYSA-N
Canonical SMILES CC1(CC(=O)C2=C(O1)C=C(C=C2O)CO)C3CCC(=O)O3
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Other Names 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-(hydroxymethyl)-2-methyl-2-(tetrahydro-5-oxo-2-furanyl)-

In Other Databases

PubChem 45359348
ChemSpider 22369869