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 192.2
[M+Na]+ 439.12109 195.2
[M-H]- 415.12459 195.1
[M+NH4]+ 434.16569 195.4
[M+K]+ 455.09503 195.9
[M+H-H2O]+ 399.12913 183.7
[M+HCOO]- 461.13007 198.7
[M+CH3COO]- 475.14572 215.8
[M+Na-2H]- 437.10654 189.8
[M]+ 416.13132 191.0
[M]- 416.13242 191.0
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