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Murrangatin
SpectraBase Compound ID 4RX4uHOM4g6
InChI InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3
InChIKey DKEANOQWICTXTP-UHFFFAOYSA-N
Mol Weight 276.29 g/mol
Molecular Formula C15H16O5
Exact Mass 276.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CM3Vvp1ZQhv
Name Murrangatin
Alternate Name(s) 7-Methoxy-8-[3-methyl-1,2-bis(oxidanyl)but-3-enyl]chromen-2-one 8-(1,2-dihydroxy-3-methyl-3-butenyl)-7-methoxy-2H-chromen-2-one 8-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-chromen-2-one 8-(1,2-dihydroxy-3-methyl-but-3-enyl)-7-methoxy-coumarin 8-(1,2-dihydroxy-3-methylbut-3-enyl)-7-methoxy-1-benzopyran-2-one
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Formula C15H16O5
InChI InChI=1S/C15H16O5/c1-8(2)13(17)14(18)12-10(19-3)6-4-9-5-7-11(16)20-15(9)12/h4-7,13-14,17-18H,1H2,2-3H3
InChIKey DKEANOQWICTXTP-UHFFFAOYSA-N
Molecular Weight 276.288 g/mol
SMILES OC(C(c1c2OC(=O)C=Cc2ccc1OC)O)C(=C)C
SPLASH splash10-0a4i-0090000000-e76db75ab84b1f2fdb35
Source of Spectrum E1-37-362-16
Wiley ID 1517567