(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol

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Systematic / IUPAC Name: (4-Hydroxyphenyl)-[2,4,6-trihydroxy-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methanone

ID: Reference8158

Other Names: Iriflophenone 3-C-β-D-glucopyranoside;
Methanone, (3-b-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)-

Formula: C19H20O10

Spectral Data

(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitol 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 8/21/2018 8:32:30 AM
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Identificators

InChI InChI=1S/C19H20O10/c20-6-11-15(25)17(27)18(28)19(29-11)13-10(23)5-9(22)12(16(13)26)14(24)7-1-3-8(21)4-2-7/h1-5,11,15,17-23,25-28H,6H2/t11-,15-,17+,18-,19+/m1/s1
InChI Key BZYKNVLTMWYEFA-ZJKJAXBQSA-N
Canonical SMILES C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2O)O)C3C(C(C(C(O3)CO)O)O)O)O)O
CAS 104669025
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Other Names Iriflophenone 3-C-β-D-glucopyranoside;
Methanone, (3-b-D-glucopyranosyl-2,4,6-trihydroxyphenyl)(4-hydroxyphenyl)-

In Other Databases

ChEMBL CHEMBL3358632
ChemSpider 160291
PubChem 184358
ChemIDPlus 104669025