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5,2',4'-Trihydroxy-7-methoxyisoflavanone (Dihydrocajanin)
SpectraBase Compound ID H8OPZO5ohTF
InChI InChI=1S/C16H14O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-6,11,17-19H,7H2,1H3
InChIKey LLXBBFVLYUDUAP-UHFFFAOYSA-N
Mol Weight 302.28 g/mol
Molecular Formula C16H14O6
Exact Mass 302.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TONITdrESE
Name 5,2',4'-Trihydroxy-7-methoxyisoflavanone (Dihydrocajanin)
Alternate Name(s) 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one 3-[2,4-bis(oxidanyl)phenyl]-7-methoxy-5-oxidanyl-2,3-dihydrochromen-4-one
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Formula C16H14O6
InChI InChI=1S/C16H14O6/c1-21-9-5-13(19)15-14(6-9)22-7-11(16(15)20)10-3-2-8(17)4-12(10)18/h2-6,11,17-19H,7H2,1H3
InChIKey LLXBBFVLYUDUAP-UHFFFAOYSA-N
Molecular Weight 302.282 g/mol
SMILES Oc1ccc(c(c1)O)C1C(c2c(OC1)cc(cc2O)OC)=O
SPLASH splash10-016r-4902000000-4e994e57364be2181679
Source of Spectrum E1-40-2973-6
Wiley ID 1551708