6-O-[(2E)-3-Phenyl-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

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Systematic / IUPAC Name: ((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-{[(E)-3-phenylprop-2-enoyl]oxymethyl}oxan-2-yl) 3,4,5-trihydroxybenzoate

ID: Reference7811

Other Names: β-D-Glucopyranose, 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl], 1-(3,4,5-trihydroxybenzoate)

Formula: C22H22O11

Spectral Data

6-O-[(2E)-3-Phenyl-2-propenoyl]-1-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose 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 11:41:40 AM
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Identificators

InChI InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6+/t15-,18-,19+,20-,22+/m1/s1
InChI Key REBRERQNUHGTMS-PCGJYRBUSA-N
Canonical SMILES C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
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Other Names β-D-Glucopyranose, 6-O-[(2E)-1-oxo-3-phenyl-2-propen-1-yl], 1-(3,4,5-trihydroxybenzoate)

In Other Databases

PubChem 14034234
ChemSpider 22912967