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Methyl 3,4,6-trihydroxy-7-methoxy-1-methyl-5,8-dioxo-5,8-dihydroanthracene-2-carboxylate
SpectraBase Compound ID IPHBSGs0yLD
InChI InChI=1S/C18H14O8/c1-6-7-4-10-9(13(20)16(23)17(25-2)14(10)21)5-8(7)12(19)15(22)11(6)18(24)26-3/h4-5,19,22-23H,1-3H3
InChIKey FFPOUIWNAIAYGH-UHFFFAOYSA-N
Mol Weight 358.3 g/mol
Molecular Formula C18H14O8
Exact Mass 358.068867 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8C9idt29Haj
Name Methyl 3,4,6-trihydroxy-7-methoxy-1-methyl-5,8-dioxo-5,8-dihydroanthracene-2-carboxylate
Alternate Name(s) methyl 3,4,6-trihydroxy-7-methoxy-1-methyl-5,8-dioxo-5,8-dihydro-2-anthracenecarboxylate Methyl 3,6,8-trihydroxy-7-methoxy-1-methyl-5,8-dioxo-5,8-dihydroanthracene-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C18H14O8
InChI InChI=1S/C18H14O8/c1-6-7-4-10-9(13(20)16(23)17(25-2)14(10)21)5-8(7)12(19)15(22)11(6)18(24)26-3/h4-5,19,22-23H,1-3H3
InChIKey FFPOUIWNAIAYGH-UHFFFAOYSA-N
Molecular Weight 358.302 g/mol
SMILES Oc1c(c(c(c2c1cc1c(C(C(=C(C1=O)O)OC)=O)c2)C)C(=O)OC)O
SPLASH splash10-056r-0009000000-379400bf91a699334812
Source of Spectrum B-52-1176-23
Wiley ID 746802