6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose

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Systematic / IUPAC Name: 6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose

ID: Reference7801

Other Names: 3,4,5-Trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl 3,4,5-trihydroxybenzoate ;
Hexopyranose, 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-, 1-(3,4,5-trihydroxybenzoate)

Formula: C22H22O12

Spectral Data

6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)hexopyranose 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 4/19/2018 7:34:54 AM
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Identificators

InChI InChI=1S/C22H22O12/c23-12-4-1-10(2-5-12)3-6-16(26)32-9-15-18(28)19(29)20(30)22(33-15)34-21(31)11-7-13(24)17(27)14(25)8-11/h1-8,15,18-20,22-25,27-30H,9H2/b6-3+
InChI Key LWOXGQKLDYQLMZ-ZZXKWVIFSA-N
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O
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Other Names 3,4,5-Trihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl 3,4,5-trihydroxybenzoate ;
Hexopyranose, 6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-, 1-(3,4,5-trihydroxybenzoate)

In Other Databases

ChemSpider 22913500
PubChem 45359700