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[2',3',5',6'-D4]-Biochanin A {5,7-dihydroxy-3-(4-methoxyphenyl-2,3,5,6-D4)-4H-1-benzopyran-4-one}
SpectraBase Compound ID LTV8c6DEqHy
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3/i2D,3D,4D,5D
InChIKey WUADCCWRTIWANL-QFFDRWTDSA-N
Mol Weight 288.29 g/mol
Molecular Formula C16H8D4O5
Exact Mass 288.09358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JTwBDBfLOG9
Name [2',3',5',6'-D4]-Biochanin A {5,7-dihydroxy-3-(4-methoxyphenyl-2,3,5,6-D4)-4H-1-benzopyran-4-one}
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8D4O5
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3/i2D,3D,4D,5D
InChIKey WUADCCWRTIWANL-QFFDRWTDSA-N
Molecular Weight 288.291 g/mol
SMILES Oc1cc2OC=C(C(c2c(c1)O)=O)c1c(c([D])c(c(c1[D])[D])OC)[D]
SPLASH splash10-000i-0290000000-860658538d320fddc7cd
Source of Spectrum F-55-3451-4
Synonyms 5,7-Dihydroxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)-1-benzopyran-4-one 5,7-Dihydroxy-3-(2,3,5,6-tetradeuterio-4-methoxyphenyl)chromen-4-one 5,7-Dihydroxy-3-(2,3,5,6-tetradeuterio-4-methoxy-phenyl)chromen-4-one 5,7-bis(oxidanyl)-3-(2,3,5,6-tetradeuterio-4-methoxy-phenyl)chromen-4-one
Wiley ID 837383