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5-Hydroxy-6-methoxy-7-o-.beta.-D-glucosyl - coumarin
SpectraBase Compound ID 23VetixCmsx
InChI InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3/t9-,12-,13+,14-,16-/m1/s1
InChIKey PIBSIXYTETZFRB-JCILWVLBSA-N
Mol Weight 370.31 g/mol
Molecular Formula C16H18O10
Exact Mass 370.089997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBRv8GsQnMF
Name 5-Hydroxy-6-methoxy-7-o-.beta.-D-glucosyl - coumarin
Comments Computed using HOSE algorithm
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Exact Mass 370.089996770 u
Formula C16H18O10
InChI InChI=1S/C16H18O10/c1-23-15-8(4-7-6(11(15)19)2-3-10(18)24-7)25-16-14(22)13(21)12(20)9(5-17)26-16/h2-4,9,12-14,16-17,19-22H,5H2,1H3/t9-,12-,13+,14-,16-/m1/s1
InChIKey PIBSIXYTETZFRB-JCILWVLBSA-N
Molecular Weight 370.310 g/mol
SMILES [C@]1([C@@]([C@@](O)([C@@]([C@](O1)(CO)[H])(O)[H])[H])(O)[H])(OC1=C(C(O)=C2C(=C1)OC(C=C2)=O)OC)[H]