CID 5479772

1,3-dihydroxy-5-methoxyxanthen-9-one, glucoside

Structural Information

Molecular Formula
C20H20O10
SMILES
COC1=CC=CC2=C1OC3=C(C2=O)C(=CC(=C3)O)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C20H20O10/c1-27-10-4-2-3-9-15(23)14-11(28-19(9)10)5-8(22)6-12(14)29-20-18(26)17(25)16(24)13(7-21)30-20/h2-6,13,16-18,20-22,24-26H,7H2,1H3
InChIKey
FMCBSXOTGSXOFC-UHFFFAOYSA-N
Compound name
3-hydroxy-5-methoxy-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

420.10565 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11293 192.8
[M+Na]+ 443.09487 201.3
[M-H]- 419.09837 197.5
[M+NH4]+ 438.13947 199.2
[M+K]+ 459.06881 201.3
[M+H-H2O]+ 403.10291 184.0
[M+HCOO]- 465.10385 203.3
[M+CH3COO]- 479.11950 220.9
[M+Na-2H]- 441.08032 195.8
[M]+ 420.10510 198.5
[M]- 420.10620 198.5
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.