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CARDINALIC_ACID
SpectraBase Compound ID 57DU0ZrVrgZ
InChI InChI=1S/C17H12O8/c1-5-3-6-10(14(20)9(5)17(23)24)15(21)11-7(12(6)18)4-8(25-2)13(19)16(11)22/h3-4,19-20,22H,1-2H3,(H,23,24)
InChIKey OTSOZQYFRAQJFG-UHFFFAOYSA-N
Mol Weight 344.27 g/mol
Molecular Formula C17H12O8
Exact Mass 344.053217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyuOyl5eLUM
Name Cardinalic acid
Alternate Name(s) 1,7,8-Trihydroxy-6-methoxy-2-(hydroxycarbonyl)-3-methylanthraquinone 1,7,8-trihydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
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Formula C17H12O8
InChI InChI=1S/C17H12O8/c1-5-3-6-10(14(20)9(5)17(23)24)15(21)11-7(12(6)18)4-8(25-2)13(19)16(11)22/h3-4,19-20,22H,1-2H3,(H,23,24)
InChIKey OTSOZQYFRAQJFG-UHFFFAOYSA-N
Molecular Weight 344.275 g/mol
SMILES Oc1c(c(cc2C(c3c(c(c(C(=O)O)c(c3)C)O)C(c12)=O)=O)OC)O
SPLASH splash10-0002-1297000000-434502acc240fccbce6d
Source of Spectrum B-51-216-4
Wiley ID 745952