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2-(2-Carboxyethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
SpectraBase Compound ID 9ozZNKqcWs
InChI InChI=1S/C18H14O7/c19-10-3-1-9(2-4-10)16-13(5-6-15(22)23)25-14-8-11(20)7-12(21)17(14)18(16)24/h1-4,7-8,19-21H,5-6H2,(H,22,23)
InChIKey MCHVSKYVFAUYFU-UHFFFAOYSA-N
Mol Weight 342.3 g/mol
Molecular Formula C18H14O7
Exact Mass 342.073953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dwAfbRJhk8
Name 2-(2-Carboxyethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Alternate Name(s) 3-[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-2-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O7
InChI InChI=1S/C18H14O7/c19-10-3-1-9(2-4-10)16-13(5-6-15(22)23)25-14-8-11(20)7-12(21)17(14)18(16)24/h1-4,7-8,19-21H,5-6H2,(H,22,23)
InChIKey MCHVSKYVFAUYFU-UHFFFAOYSA-N
Molecular Weight 342.303 g/mol
SMILES Oc1cc(cc2c1C(C(c1ccc(cc1)O)=C(O2)CCC(=O)O)=O)O
SPLASH splash10-0007-0279000000-bbee14b2cd1ef9cc4366
Source of Spectrum F-56-299-17
Wiley ID 855387