(2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

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Systematic / IUPAC Name: (2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one

ID: Reference7505

Other Names: 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-, (2S,3S)-

Formula: C16H14O8

Spectral Data

(2S,3S)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/9/2018 1:18:14 PM
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Identificators

InChI InChI=1S/C16H14O8/c1-5-7(17)4-10-11(12(5)20)14(22)15(23)16(24-10)6-2-8(18)13(21)9(19)3-6/h2-4,15-21,23H,1H3/t15-,16+/m1/s1
InChI Key NZRLODDQFPZTPM-CVEARBPZSA-N
Canonical SMILES CC1=C(C=C2C(=C1O)C(=O)C(C(O2)C3=CC(=C(C(=C3)O)O)O)O)O
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Other Names 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-, (2S,3S)-

In Other Databases

PubChem 26087902
ChemSpider 22913023