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BRANDISIANIN_E
SpectraBase Compound ID JS890XDrJAh
InChI InChI=1S/C22H22O8/c1-11(9-23)4-5-12-15(24)7-17(26)20-21(27)14(10-30-22(12)20)13-6-19(29-3)16(25)8-18(13)28-2/h4,6-8,10,23-26H,5,9H2,1-3H3/b11-4+
InChIKey NQIJCWMTBNAWNQ-NYYWCZLTSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LfOpEG8k6UV
Name Brandisianin E
Alternate Name(s) 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-benzopyran-4-one 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxy-phenyl)-8-[(E)-4-hydroxy-3-methyl-but-2-enyl]chromen-4-one 3-(2,5-dimethoxy-4-oxidanyl-phenyl)-8-[(E)-3-methyl-4-oxidanyl-but-2-enyl]-5,7-bis(oxidanyl)chromen-4-one
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-11(9-23)4-5-12-15(24)7-17(26)20-21(27)14(10-30-22(12)20)13-6-19(29-3)16(25)8-18(13)28-2/h4,6-8,10,23-26H,5,9H2,1-3H3/b11-4+
InChIKey NQIJCWMTBNAWNQ-NYYWCZLTSA-N
Molecular Weight 414.410 g/mol
SMILES Oc1cc(c(C=2C(c3c(cc(c(c3OC2)C\C=C\(CO)C)O)O)=O)cc1OC)OC
SPLASH splash10-001j-5109100000-349308e5c70421b40511
Source of Spectrum G4-70-1913-5
Wiley ID 1694846