CID 90657434

4-o- beta -d-glucosyl-daphnetin

Structural Information

Molecular Formula
C15H16O9
SMILES
C1=CC2=C(C(=C1)O)OC(=O)C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-9-11(19)12(20)13(21)15(23-9)22-8-4-10(18)24-14-6(8)2-1-3-7(14)17/h1-4,9,11-13,15-17,19-21H,5H2/t9-,11-,12+,13-,15-/m1/s1
InChIKey
ZVNAIDGAINTZFZ-VWKSAYTASA-N
Compound name
8-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.07944 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08672 171.9
[M+Na]+ 363.06866 179.5
[M-H]- 339.07216 175.2
[M+NH4]+ 358.11326 180.6
[M+K]+ 379.04260 179.1
[M+H-H2O]+ 323.07670 164.6
[M+HCOO]- 385.07764 183.4
[M+CH3COO]- 399.09329 202.3
[M+Na-2H]- 361.05411 174.9
[M]+ 340.07889 173.6
[M]- 340.07999 173.6
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.