CID 21575207

[(2s,3r,4s,5r)-5-[(1r)-1,2-dihydroxyethyl]-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4-hydroxyoxolan-3-yl] acetate

Structural Information

Molecular Formula
C23H22O11
SMILES
CC(=O)O[C@@H]1[C@H]([C@H](O[C@H]1C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)O)[C@@H](CO)O)O
InChI
InChI=1S/C23H22O11/c1-9(25)32-23-19(31)20(15(30)8-24)34-22(23)18-13(28)6-12(27)17-14(29)7-16(33-21(17)18)10-2-4-11(26)5-3-10/h2-7,15,19-20,22-24,26-28,30-31H,8H2,1H3/t15-,19+,20-,22+,23-/m1/s1
InChIKey
MOUVVAJSRUZRJN-LFGRVDMKSA-N
Compound name
[(2S,3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4-hydroxyoxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.1162 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.12348 205.3
[M+Na]+ 497.10542 210.9
[M-H]- 473.10892 211.0
[M+NH4]+ 492.15002 209.0
[M+K]+ 513.07936 211.5
[M+H-H2O]+ 457.11346 198.1
[M+HCOO]- 519.11440 214.2
[M+CH3COO]- 533.13005 229.2
[M+Na-2H]- 495.09087 201.7
[M]+ 474.11565 209.3
[M]- 474.11675 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.