(2S,3S)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid

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Systematic / IUPAC Name: (2S,3S)-2-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid

ID: Reference7835

Other Names: Butanoic acid, 2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy}-3,4-dihydroxy-2-methyl-, (2S,3S)-

Formula: C14H16O8

Spectral Data

(2S,3S)-2-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,4-dihydroxy-2-methylbutanoic acid 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 112
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/23/2018 9:31:28 AM
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Identificators

InChI InChI=1S/C14H16O8/c1-14(13(20)21,11(18)7-15)22-12(19)5-3-8-2-4-9(16)10(17)6-8/h2-6,11,15-18H,7H2,1H3,(H,20,21)/b5-3+/t11-,14-/m0/s1
InChI Key VFNQXFLXWICPJF-ACIZLPDLSA-N
Canonical SMILES CC(C(CO)O)(C(=O)O)OC(=O)C=CC1=CC(=C(C=C1)O)O
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Other Names Butanoic acid, 2-{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy}-3,4-dihydroxy-2-methyl-, (2S,3S)-

In Other Databases

ChemSpider 22912792
PubChem 23955864