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1,8-DIHYDROXY-3-(E-3-HYDROXY-METHYL-BUT-2-ENYLOXY)-6-METHYL-XANTHONE
SpectraBase Compound ID Byz1t7BH4NH
InChI InChI=1S/C19H18O6/c1-10(9-20)3-4-24-12-7-14(22)18-16(8-12)25-15-6-11(2)5-13(21)17(15)19(18)23/h3,5-8,20-22H,4,9H2,1-2H3/b10-3+
InChIKey ZLHOXNDIHMXOPF-XCVCLJGOSA-N
Mol Weight 342.35 g/mol
Molecular Formula C19H18O6
Exact Mass 342.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ElrwirTiSpE
Name 1,8-Dihydroxy-3-{[3'-(hydroxymethyl)but-2'-enyl]oxy}-6-methylxanthone
Alternate Name(s) 1,8-dihydroxy-3-{[(2E)-4-hydroxy-3-methyl-2-butenyl]oxy}-6-methyl-9H-xanthen-9-one 1,8-dihydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methyl-9-xanthenone 1,8-dihydroxy-3-[(E)-4-hydroxy-3-methylbut-2-enoxy]-6-methylxanthen-9-one 1,8-dihydroxy-3-[(E)-4-hydroxy-3-methyl-but-2-enoxy]-6-methyl-xanthen-9-one 3-methyl-6-[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-1,8-bis(oxidanyl)xanthen-9-one
Comments Less than 3 mono-isotopic peaks
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Formula C19H18O6
InChI InChI=1S/C19H18O6/c1-10(9-20)3-4-24-12-7-14(22)18-16(8-12)25-15-6-11(2)5-13(21)17(15)19(18)23/h3,5-8,20-22H,4,9H2,1-2H3/b10-3+
InChIKey ZLHOXNDIHMXOPF-XCVCLJGOSA-N
Molecular Weight 342.347 g/mol
SMILES Oc1cc(cc2c1C(c1c(cc(cc1O2)C)O)=O)OC\C=C\(CO)C
SPLASH splash10-0a4i-0092000000-2fd87c2ab8f5c8d1bd9b
Source of Spectrum G4-63-20-9
Wiley ID 1608198