CID 90658749

3-o-beta-d-glucosyl-daphnetin

Structural Information

Molecular Formula
C15H16O9
SMILES
C1=CC2=C(C(=C1)O)OC(=O)C(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-9-10(18)11(19)12(20)15(23-9)22-8-4-6-2-1-3-7(17)13(6)24-14(8)21/h1-4,9-12,15-20H,5H2/t9-,10-,11+,12-,15-/m1/s1
InChIKey
VCIMNIQSJCTEII-BJIWRROBSA-N
Compound name
8-hydroxy-3-[(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

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08672 173.0
[M+Na]+ 363.06866 184.0
[M+NH4]+ 358.11326 177.0
[M+K]+ 379.04260 182.5
[M-H]- 339.07216 175.5
[M+Na-2H]- 361.05411 173.4
[M]+ 340.07889 174.9
[M]- 340.07999 174.9
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.