CID 12442950

2-hydroxybenzaldehyde o-[xylosyl-(1->6)-glucoside]

Structural Information

Molecular Formula
C18H24O11
SMILES
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC=CC=C3C=O)O)O)O)O)O)O
InChI
InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2
InChIKey
DSDFXGQRZAFFQA-UHFFFAOYSA-N
Compound name
2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

416.13187 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.13915 193.1
[M+Na]+ 439.12109 200.3
[M+NH4]+ 434.16569 194.7
[M+K]+ 455.09503 200.6
[M-H]- 415.12459 195.0
[M+Na-2H]- 437.10654 191.2
[M]+ 416.13132 193.9
[M]- 416.13242 193.9
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

patents stripe