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Endocrocin

View entire compound with spectra: 1 MS (GC)

Endocrocin
SpectraBase Compound ID CjPpcECipCB
InChI InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)
InChIKey UZOHDKGTYVTYDZ-UHFFFAOYSA-N
Mol Weight 314.25 g/mol
Molecular Formula C16H10O7
Exact Mass 314.042653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4D2g9OB8aR
Name Endocrocin
Alternate Name(s) 1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid 1,6,8-trihydroxy-3-methyl-9,10-dioxo-anthracene-2-carboxylic acid 1,6,8-trihydroxy-9,10-diketo-3-methyl-anthracene-2-carboxylic acid 3-Methyl-1,6,8-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
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Formula C16H10O7
InChI InChI=1S/C16H10O7/c1-5-2-7-12(14(20)10(5)16(22)23)15(21)11-8(13(7)19)3-6(17)4-9(11)18/h2-4,17-18,20H,1H3,(H,22,23)
InChIKey UZOHDKGTYVTYDZ-UHFFFAOYSA-N
Molecular Weight 314.249 g/mol
SMILES Oc1cc(cc2C(c3c(c(c(C(=O)O)c(c3)C)O)C(c12)=O)=O)O
SPLASH splash10-00kb-6092000000-920586c162d1a0bb8160
Source of Spectrum B-51-216-1
Wiley ID 745953