CID 101688472

2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C23H24O11
SMILES
COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC(=C(C=C3)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C23H24O11/c1-30-15-5-10(3-4-12(15)25)14-8-13(26)19-16(31-2)6-11(7-17(19)33-14)32-23-22(29)21(28)20(27)18(9-24)34-23/h3-8,18,20-25,27-29H,9H2,1-2H3/t18-,20-,21+,22-,23-/m1/s1
InChIKey
GRYWSROVPQJCDJ-DODNOZFWSA-N
Compound name
2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.13187 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.13915 208.9
[M+Na]+ 499.12109 215.4
[M-H]- 475.12459 215.4
[M+NH4]+ 494.16569 211.6
[M+K]+ 515.09503 216.5
[M+H-H2O]+ 459.12913 198.8
[M+HCOO]- 521.13007 218.7
[M+CH3COO]- 535.14572 232.3
[M+Na-2H]- 497.10654 208.4
[M]+ 476.13132 214.6
[M]- 476.13242 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.