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[6,8,2',5',6'-D5]-Quercetin 9 {3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl-2,5,6-D3)-4H-1-benzopyran-4-one-6,8-D2}
SpectraBase Compound ID 4V0t8KVGhlJ
InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/i1D,2D,3D,4D,5D
InChIKey REFJWTPEDVJJIY-RALIUCGRSA-N
Mol Weight 307.27 g/mol
Molecular Formula C15H5D5O7
Exact Mass 307.074036 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ES5duPC4L0i
Name [6,8,2',5',6'-D5]-Quercetin 9 {3,5,7-Trihydroxy-2-(3,4-dihydroxyphenyl-2,5,6-D3)-4H-1-benzopyran-4-one-6,8-D2}
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Formula C15H5D5O7
InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H/i1D,2D,3D,4D,5D
InChIKey REFJWTPEDVJJIY-RALIUCGRSA-N
Molecular Weight 307.269 g/mol
SMILES Oc1c(c(c(c(C2=C(C(c3c(O2)c(c(c(c3O)[D])O)[D])=O)O)c1[D])[D])[D])O
SPLASH splash10-0a4i-0209000000-9e2344ed04e2f19268b7
Source of Spectrum F-56-915-9
Synonyms 6,8-Dideuterio-3,5,7-trihydroxy-2-(2,3,6-trideuterio-4,5-dihydroxyphenyl)-1-benzopyran-4-one 6,8-Dideuterio-3,5,7-trihydroxy-2-(2,3,6-trideuterio-4,5-dihydroxyphenyl)chromen-4-one 6,8-Dideuterio-3,5,7-trihydroxy-2-(2,3,6-trideuterio-4,5-dihydroxy-phenyl)chromen-4-one 6,8-Dideuterio-3,5,7-tris(oxidanyl)-2-[2,3,6-trideuterio-4,5-bis(oxidanyl)phenyl]chromen-4-one
Wiley ID 855764