Catechin 7-O-apiofuranoside

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Systematic / IUPAC Name: (2R,3S)-7-[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol

ID: Reference8089

Other Names: 2H-1-Benzopyran-3,5-diol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-[[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy], (2R,3S)-

Formula: C20H22O10

Spectral Data

Catechin 7-O-apiofuranoside 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 7/10/2018 12:31:10 PM
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Identificators

InChI InChI=1S/C20H22O10/c21-7-20(27)8-28-19(18(20)26)29-10-4-13(23)11-6-15(25)17(30-16(11)5-10)9-1-2-12(22)14(24)3-9/h1-5,15,17-19,21-27H,6-8H2/t15-,17+,18-,19-,20+/m0/s1
InChI Key OZEIRJMOKXRLCR-AXDKOMKPSA-N
Canonical SMILES C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(CO3)(CO)O)O)C4=CC(=C(C=C4)O)O)O
CAS
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Other Names 2H-1-Benzopyran-3,5-diol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-7-[[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]oxy], (2R,3S)-

In Other Databases

ChemSpider 10290167
PubChem 21676366