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Phomopsinone c
SpectraBase Compound ID AofRw4GEm44
InChI InChI=1S/C12H16O5/c1-7(13)3-8-4-11-9(6-16-8)10(15-2)5-12(14)17-11/h5,7-8,13H,3-4,6H2,1-2H3/t7-,8+/m1/s1
InChIKey LVPYBBRMUJCOKG-SFYZADRCSA-N
Mol Weight 240.25 g/mol
Molecular Formula C12H16O5
Exact Mass 240.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2SFImaHORv
Name Phomopsinone c
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O5
InChI InChI=1S/C12H16O5/c1-7(13)3-8-4-11-9(6-16-8)10(15-2)5-12(14)17-11/h5,7-8,13H,3-4,6H2,1-2H3/t7-,8+/m1/s1
InChIKey LVPYBBRMUJCOKG-SFYZADRCSA-N
Molecular Weight 240.255 g/mol
SMILES O[C@@](C[C@]1(CC2=C(C(=CC(O2)=O)OC)CO1)[H])(C)[H]
SPLASH splash10-0006-0090000000-ec34e28fb66d73edb62d
Source of Spectrum U1-2012-1788-3
Synonyms (7S)-4-methoxy-7-[(2R)-2-oxidanylpropyl]-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Wiley ID 1714948