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PHELLIGRIDIN_D;3-(3,4-DIHYDROXYSTYRYL)-8,9-DIHYDROPYRANO-[4.3-C]-ISOCHROMENE-4-ONE
SpectraBase Compound ID IjkPPKKg4fb
InChI InChI=1S/C20H12O8/c21-13-4-2-9(5-14(13)22)1-3-10-6-17-18(20(26)27-10)11-7-15(23)16(24)8-12(11)19(25)28-17/h1-8,21-24H/b3-1+
InChIKey KKEIHFGUYDHUBS-HNQUOIGGSA-N
Mol Weight 380.31 g/mol
Molecular Formula C20H12O8
Exact Mass 380.053217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7x2n3aA9aS5
Name 3-(3,4-hydroxystyryl)-8,9-dihydroxypyrano[4,3-c]isochromene-4-one
Appearance White powder
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Formula C20H12O8
InChI InChI=1S/C20H12O8/c21-13-4-2-9(5-14(13)22)1-3-10-6-17-18(20(26)27-10)11-7-15(23)16(24)8-12(11)19(25)28-17/h1-8,21-24H/b3-1+
InChIKey KKEIHFGUYDHUBS-HNQUOIGGSA-N
Instrument Name Micromass Autospec-Ultima ETOF & VGZAB-2F
Ionization Type EI
Literature Reference DOI 10.1021/np030505d
Molecular Weight 380.308 g/mol
Reported Formula C20H12O8
SMILES Oc1c(cc2C=3C(OC(\C=C\c4cc(c(cc4)O)O)=CC3OC(c2c1)=O)=O)O
SPLASH splash10-053r-3974000000-848349d1e7688f9212c1
Source of Spectrum G4-67-SM34-3
Synonyms Phelligridin D
Wiley ID 1881795