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6-[3-HYDROXY-2-(3-HYDROXY-8-METHOXY-9,10-ANTHRAQUINONE-1-CARBONYL)-PHENYL]-6-OXO-HEXANOIC-ACID
SpectraBase Compound ID 60fpn2RmqMn
InChI InChI=1S/C28H22O9/c1-37-21-10-5-7-16-25(21)28(36)23-17(26(16)34)12-14(29)13-18(23)27(35)24-15(6-4-9-20(24)31)19(30)8-2-3-11-22(32)33/h4-7,9-10,12-13,29,31H,2-3,8,11H2,1H3,(H,32,33)
InChIKey XCENUVJGBHYTDY-UHFFFAOYSA-N
Mol Weight 502.48 g/mol
Molecular Formula C28H22O9
Exact Mass 502.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49Rr1E3ff2F
Name 6-[2-[8-methoxy-3-oxidanyl-9,10-bis(oxidanylidene)anthracen-1-yl]carbonyl-3-oxidanyl-phenyl]-6-oxidanylidene-hexanoic acid
Alternate Name(s) 6-[3-hydroxy-2-(3-hydroxy-8-methoxy-9,10-dioxo-anthracene-1-carbonyl)phenyl]-6-oxo-hexanoic acid 6-[3-hydroxy-2-(3-hydroxy-9,10-diketo-8-methoxy-anthracene-1-carbonyl)phenyl]-6-keto-hexanoic acid 6-[3-hydroxy-2-[(3-hydroxy-8-methoxy-9,10-dioxo-1-anthracenyl)-oxomethyl]phenyl]-6-oxohexanoic acid
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Formula C28H22O9
InChI InChI=1S/C28H22O9/c1-37-21-10-5-7-16-25(21)28(36)23-17(26(16)34)12-14(29)13-18(23)27(35)24-15(6-4-9-20(24)31)19(30)8-2-3-11-22(32)33/h4-7,9-10,12-13,29,31H,2-3,8,11H2,1H3,(H,32,33)
InChIKey XCENUVJGBHYTDY-UHFFFAOYSA-N
Molecular Weight 502.475 g/mol
SMILES Oc1cccc(c1C(c1cc(cc2c1C(c1c(cccc1C2=O)OC)=O)O)=O)C(CCCCC(=O)O)=O
SPLASH splash10-0udi-4520920000-d280cd85dbbb4c975c9b
Source of Spectrum F-67-9256-10
Wiley ID 1571446