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3-O-(E-3-HYDROXY-METHYL-BUT-2-ENYL)-EMODIN
SpectraBase Compound ID ARzPLXcvc1b
InChI InChI=1S/C20H18O6/c1-10(9-21)3-4-26-12-7-14-18(16(23)8-12)20(25)17-13(19(14)24)5-11(2)6-15(17)22/h3,5-8,21-23H,4,9H2,1-2H3/b10-3+
InChIKey ODMZVWPIDGYXBZ-XCVCLJGOSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVezYdNih48
Name 1,8-dihydroxy-3-[(E)-4-hydroxy-3-methyl-but-2-enoxy]-6-methyl-9,10-anthraquinone
Comments Less than 3 mono-isotopic peaks
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Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-10(9-21)3-4-26-12-7-14-18(16(23)8-12)20(25)17-13(19(14)24)5-11(2)6-15(17)22/h3,5-8,21-23H,4,9H2,1-2H3/b10-3+
InChIKey ODMZVWPIDGYXBZ-XCVCLJGOSA-N
Molecular Weight 354.358 g/mol
SMILES Oc1cc(cc2c1C(c1c(cc(cc1C2=O)C)O)=O)OC\C=C\(CO)C
SPLASH splash10-014i-0092000000-b13102c5c1002d6c9388
Source of Spectrum G4-63-20-7
Synonyms 1,8-dihydroxy-3-[(E)-4-hydroxy-3-methyl-but-2-enoxy]-6-methyl-anthracene-9,10-dione 3-methyl-6-[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-1,8-bis(oxidanyl)anthracene-9,10-dione
Wiley ID 1608200