1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol

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Systematic / IUPAC Name: 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

ID: Reference8193

Other Names: Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone

Formula: C21H20O10

Spectral Data

1,5-Anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]hexitol 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 155
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/3/2018 10:32:34 AM
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Identificators

InChI InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
InChI Key MYXNWGACZJSMBT-UHFFFAOYSA-N
Canonical SMILES C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O)C4C(C(C(C(O4)CO)O)O)O)O)O
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Other Names Hexitol, 1,5-anhydro-1-C-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-;
5,7-Dihydroxy-2-(4-hydroxyphenyl)-6-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)chromone

In Other Databases

ChemSpider 3673312
ChEMBL CHEMBL1601394
PubChem 4475102