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EMODIC_ACID
SpectraBase Compound ID LrT2H54B8Ty
InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
InChIKey ZJXVNNSMRGTDBI-UHFFFAOYSA-N
Mol Weight 300.22 g/mol
Molecular Formula C15H8O7
Exact Mass 300.027003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIMjqy7YnEW
Name 4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid
Alternate Name(s) 4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid 4,5,7-trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid 4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid 4,5,7-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C15H8O7
InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
InChIKey ZJXVNNSMRGTDBI-UHFFFAOYSA-N
Molecular Weight 300.222 g/mol
SMILES Oc1cc(cc2c1C(c1c(cc(cc1C2=O)O)O)=O)C(=O)O
SPLASH splash10-0zfr-0069000000-4902ae02b77af787c056
Source of Spectrum J-58-7912-15
Wiley ID 1302576