John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Knf2YbQdaiX SpectraBase Spectrum ID=9UXhvUq0B6W

(accessed ).
PHEBACLAVIN-E
SpectraBase Compound ID Knf2YbQdaiX
InChI InChI=1S/C16H16O7/c1-8(15(19)22-3)6-12(18)10-7-9-4-5-11(17)14(21-2)13(9)23-16(10)20/h4-7,12,17-18H,1-3H3/b8-6+
InChIKey ZIDPPUOSVSTKAO-SOFGYWHQSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID 9UXhvUq0B6W
Name (E)-4-hydroxy-4-(7-hydroxy-2-keto-8-methoxy-chromen-3-yl)-2-methyl-but-2-enoic acid methyl ester
Alternate Name(s) (E)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxo-1-benzopyran-3-yl)-2-methyl-2-butenoic acid methyl ester Methyl (E)-4-(8-methoxy-7-oxidanyl-2-oxidanylidene-chromen-3-yl)-2-methyl-4-oxidanyl-but-2-enoate Methyl (E)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxo-chromen-3-yl)-2-methyl-but-2-enoate
Classification 7-hydroxycoumarins
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Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-8(15(19)22-3)6-12(18)10-7-9-4-5-11(17)14(21-2)13(9)23-16(10)20/h4-7,12,17-18H,1-3H3/b8-6+
InChIKey ZIDPPUOSVSTKAO-SOFGYWHQSA-N
SPLASH splash10-014i-0090000000-d7efaebc1685d44419cc
Source of Spectrum G4-65-460-5
SpectraBase Batch ID FWIXvNuvM9j