CID 162960267

[(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] acetate

Structural Information

Molecular Formula
C24H24O11
SMILES
CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)OC)CO)O)O
InChI
InChI=1S/C24H24O11/c1-10(26)33-24-21(31)20(30)17(9-25)35-23(24)19-16(32-2)8-14(29)18-13(28)7-15(34-22(18)19)11-3-5-12(27)6-4-11/h3-8,17,20-21,23-25,27,29-31H,9H2,1-2H3/t17-,20-,21+,23+,24-/m1/s1
InChIKey
JQUDPNSJXPBHNN-ACNSVSOQSA-N
Compound name
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.13187 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13915 212.2
[M+Na]+ 511.12109 218.3
[M-H]- 487.12459 218.6
[M+NH4]+ 506.16569 214.2
[M+K]+ 527.09503 219.3
[M+H-H2O]+ 471.12913 202.3
[M+HCOO]- 533.13007 220.8
[M+CH3COO]- 547.14572 235.3
[M+Na-2H]- 509.10654 210.1
[M]+ 488.13132 216.9
[M]- 488.13242 216.9
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.