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1,8-DIHYDROXY-3-(3-HYDROXY-METHYL-4-HYDROXY-BUT-2-ENYLOXY)-6-METHYL-XANTHONE
SpectraBase Compound ID 5ShwOzjso2o
InChI InChI=1S/C19H18O7/c1-10-4-13(22)17-15(5-10)26-16-7-12(6-14(23)18(16)19(17)24)25-3-2-11(8-20)9-21/h2,4-7,20-23H,3,8-9H2,1H3
InChIKey DKSIXSIYOLEDDG-UHFFFAOYSA-N
Mol Weight 358.35 g/mol
Molecular Formula C19H18O7
Exact Mass 358.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrNXt51Kk0X
Name 1,8-dihydroxy-3-(4-hydroxy-3-methylol-but-2-enoxy)-6-methyl-xanthone
Comments Less than 3 mono-isotopic peaks
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Formula C19H18O7
InChI InChI=1S/C19H18O7/c1-10-4-13(22)17-15(5-10)26-16-7-12(6-14(23)18(16)19(17)24)25-3-2-11(8-20)9-21/h2,4-7,20-23H,3,8-9H2,1H3
InChIKey DKSIXSIYOLEDDG-UHFFFAOYSA-N
Molecular Weight 358.346 g/mol
SMILES Oc1cc(OCC=C(CO)CO)cc2Oc3c(C(c12)=O)c(cc(c3)C)O
SPLASH splash10-0a4i-0093000000-1a229624ffaf184b2716
Source of Spectrum G4-63-20-10
Synonyms 1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methyl-9-xanthenone 1,8-dihydroxy-3-[4-hydroxy-3-(hydroxymethyl)but-2-enoxy]-6-methyl-xanthen-9-one 3-[3-(hydroxymethyl)-4-oxidanyl-but-2-enoxy]-6-methyl-1,8-bis(oxidanyl)xanthen-9-one
Wiley ID 1608197