CID 23872092

Sydowinin a

Structural Information

Molecular Formula
C16H12O6
SMILES
COC(=O)C1=C2C(=CC=C1)OC3=CC(=CC(=C3C2=O)O)CO
InChI
InChI=1S/C16H12O6/c1-21-16(20)9-3-2-4-11-13(9)15(19)14-10(18)5-8(7-17)6-12(14)22-11/h2-6,17-18H,7H2,1H3
InChIKey
UBYOEDLUKKPPPN-UHFFFAOYSA-N
Compound name
methyl 8-hydroxy-6-(hydroxymethyl)-9-oxoxanthene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 161.9
[M+Na]+ 323.05262 173.4
[M-H]- 299.05612 167.0
[M+NH4]+ 318.09722 177.0
[M+K]+ 339.02656 171.1
[M+H-H2O]+ 283.06066 155.0
[M+HCOO]- 345.06160 181.5
[M+CH3COO]- 359.07725 200.5
[M+Na-2H]- 321.03807 169.1
[M]+ 300.06285 168.7
[M]- 300.06395 168.7
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

No patent data available for this compound.