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KNIPHOLONE-6'-METHYLETHER
SpectraBase Compound ID 4tpDEQVYkt2
InChI InChI=1S/C25H20O8/c1-10-8-14(28)20-22(23(29)12-6-5-7-13(27)19(12)25(20)31)17(10)21-16(33-4)9-15(32-3)18(11(2)26)24(21)30/h5-9,27-28,30H,1-4H3
InChIKey HGCQHQWCCLUFQZ-UHFFFAOYSA-N
Mol Weight 448.43 g/mol
Molecular Formula C25H20O8
Exact Mass 448.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MxlpMbSQi
Name (P)-6'-O-Methylknipholone
Alternate Name(s) 1-(3-acetyl-2-hydroxy-4,6-dimethoxyphenyl)-4,5-dihydroxy-2-methylanthracene-9,10-dione 1-(3-acetyl-2-hydroxy-4,6-dimethoxy-phenyl)-4,5-dihydroxy-2-methyl-anthracene-9,10-dione 1-(3-ethanoyl-4,6-dimethoxy-2-oxidanyl-phenyl)-2-methyl-4,5-bis(oxidanyl)anthracene-9,10-dione
Comments Less than 3 mono-isotopic peaks
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Formula C25H20O8
InChI InChI=1S/C25H20O8/c1-10-8-14(28)20-22(23(29)12-6-5-7-13(27)19(12)25(20)31)17(10)21-16(33-4)9-15(32-3)18(11(2)26)24(21)30/h5-9,27-28,30H,1-4H3
InChIKey HGCQHQWCCLUFQZ-UHFFFAOYSA-N
Molecular Weight 448.427 g/mol
SMILES Oc1c(-c2c3c(c(cc2C)O)C(c2c(C3=O)cccc2O)=O)c(cc(c1C(=O)C)OC)OC
SPLASH splash10-001j-0000900000-e41760b6a3e74ba0545f
Source of Spectrum J-67-5608-1
Wiley ID 1570506