CID 10027948

5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-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=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1
InChIKey
XKNZYDKRYPYTHS-ZTATXHNCSA-N
Compound name
5-hydroxy-6-methoxy-3-(4-methoxyphenyl)-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

2
Patents

476.13187 Da
Monoisotopic Mass

1.2
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

patents stripe