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5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-O-.beta.,D-glucuronopyranoside
SpectraBase Compound ID 1a5wtMIzHxv
InChI InChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16-,17-,18+,21-,23-/m0/s1
InChIKey MBIYPXWFHDINAY-KOONPVMTSA-N
Mol Weight 506.42 g/mol
Molecular Formula C23H22O13
Exact Mass 506.106041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcitVCptncX
Name 5,2',6'-Trihydroxy-7,8-dimethoxyflavone 2'-O-.beta.,D-glucuronopyranoside
Comments Less than 3 mono-isotopic peaks
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Formula C23H22O13
InChI InChI=1S/C23H22O13/c1-32-13-7-10(26)14-9(25)6-12(34-20(14)19(13)33-2)15-8(24)4-3-5-11(15)35-23-18(29)16(27)17(28)21(36-23)22(30)31/h3-7,16-18,21,23-24,26-29H,1-2H3,(H,30,31)/t16-,17-,18+,21-,23-/m0/s1
InChIKey MBIYPXWFHDINAY-KOONPVMTSA-N
Molecular Weight 506.416 g/mol
SMILES Oc1cc(c(c2OC(c3c(O[C@@]4([C@@]([C@]([C@@]([C@](O4)(C(=O)O)[H])(O)[H])(O)[H])(O)[H])[H])cccc3O)=CC(c12)=O)OC)OC
SPLASH splash10-0159-0009000000-e24134767487e03b5442
Source of Spectrum E1-38-3490-4
Wiley ID 1518553