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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 B8qfSwanwL6
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
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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 Oc1cc(cc2C(c3c(c(c(C(=O)O)c(c3)C)O)C(c12)=O)=O)OC
SPLASH splash10-014l-9510000000-0cf2f500e4930bf0177e
Source of Spectrum B-51-216-3
Wiley ID 745954