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Cinnalutein
SpectraBase Compound ID HV2atsh6tCQ
InChI InChI=1S/C17H12O7/c1-6-3-8-13(15(20)11(6)17(22)23)16(21)12-9(14(8)19)4-7(24-2)5-10(12)18/h3-5,18,20H,1-2H3,(H,22,23)
InChIKey GPIZQVQFTRFORW-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C17H12O7
Exact Mass 328.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbvwuHp1ssV
Name Cinnalutein
Alternate Name(s) 2-Caerboxy-1,8-diHhydroxy-6-methoxy-3-methyl-9,10-anthraquinone 1,8-Dihydroxy-6-methoxy-2-(hydroxycarbonyl)-3-methylanthraquinone 1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid 1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid 1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid 1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxo-anthracene-2-carboxylic acid 6-methoxy-3-methyl-1,8-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C17H12O7
InChI InChI=1S/C17H12O7/c1-6-3-8-13(15(20)11(6)17(22)23)16(21)12-9(14(8)19)4-7(24-2)5-10(12)18/h3-5,18,20H,1-2H3,(H,22,23)
InChIKey GPIZQVQFTRFORW-UHFFFAOYSA-N
Molecular Weight 328.276 g/mol
SMILES Oc1c(C(=O)O)c(cc2C(c3cc(cc(c3C(c12)=O)O)OC)=O)C
SPLASH splash10-03di-0009000000-87697a51580501fed82d
Source of Spectrum F-49-781-24
Wiley ID 1326088