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Aloe-emodin AC
SpectraBase Compound ID 2DvQQ2IaXZw
InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
InChIKey FUECAILUKAJTBR-UHFFFAOYSA-N
Mol Weight 312.28 g/mol
Molecular Formula C17H12O6
Exact Mass 312.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HohG542kQdM
Name (4,5-dihydroxy-9,10-dioxo-2-anthryl)methyl acetate
Comments Less than 3 mono-isotopic peaks
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Formula C17H12O6
InChI InChI=1S/C17H12O6/c1-8(18)23-7-9-5-11-15(13(20)6-9)17(22)14-10(16(11)21)3-2-4-12(14)19/h2-6,19-20H,7H2,1H3
InChIKey FUECAILUKAJTBR-UHFFFAOYSA-N
Molecular Weight 312.277 g/mol
SMILES Oc1c2C(c3c(cc(cc3C(c2ccc1)=O)COC(=O)C)O)=O
SPLASH splash10-00di-0092000000-6e355850698d6820bd3a
Source of Spectrum J-58-7911-13
Synonyms (4,5-dihydroxy-9,10-dioxoanthracen-2-yl)methyl acetate acetic acid (4,5-dihydroxy-9,10-diketo-2-anthryl)methyl ester acetic acid (4,5-dihydroxy-9,10-dioxo-2-anthracenyl)methyl ester [4,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]methyl ethanoate
Wiley ID 1313197