CID 5479783

1,3,4,8-tetrahyroxyxanthen-9-one, glucoside

Structural Information

Molecular Formula
C19H18O11
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O)O
InChI
InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(30-11)29-10-4-6(21)3-9-13(10)15(25)12-7(22)1-2-8(23)18(12)28-9/h1-4,11,14,16-17,19-24,26-27H,5H2
InChIKey
JLNSQNJMAURDHL-UHFFFAOYSA-N
Compound name
3,5,8-trihydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.0849 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.09218 192.2
[M+Na]+ 445.07412 200.6
[M-H]- 421.07762 194.7
[M+NH4]+ 440.11872 197.2
[M+K]+ 461.04806 200.6
[M+H-H2O]+ 405.08216 183.9
[M+HCOO]- 467.08310 200.0
[M+CH3COO]- 481.09875 219.2
[M+Na-2H]- 443.05957 194.5
[M]+ 422.08435 196.2
[M]- 422.08545 196.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.