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

14
Patents

416.13187 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.139146 192.2
[M+Na]+ 439.121088 195.2
[M-H]- 415.124594 195.1
[M+NH4]+ 434.165693 195.4
[M+K]+ 455.095028 195.9
[M+H-H2O]+ 399.129130 183.7
[M+HCOO]- 461.130071 198.7
[M+CH3COO]- 475.145721 215.8
[M+Na-2H]- 437.106536 189.8
[M]+ 416.13132142 191.0
[M]- 416.13241858 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