CID 45359153

Sydowinin b

Structural Information

Molecular Formula
C16H12O7
SMILES
COC(=O)C1=C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O)O
InChI
InChI=1S/C16H12O7/c1-22-16(21)13-8(18)2-3-10-14(13)15(20)12-9(19)4-7(6-17)5-11(12)23-10/h2-5,17-19H,6H2,1H3
InChIKey
SSBSKLSIZKVBFF-UHFFFAOYSA-N
Compound name
methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxoxanthene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

316.0583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 165.1
[M+Na]+ 339.04752 176.6
[M-H]- 315.05102 169.1
[M+NH4]+ 334.09212 178.9
[M+K]+ 355.02146 174.5
[M+H-H2O]+ 299.05556 158.3
[M+HCOO]- 361.05650 183.2
[M+CH3COO]- 375.07215 202.2
[M+Na-2H]- 337.03297 171.3
[M]+ 316.05775 172.0
[M]- 316.05885 172.0
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

patents stripe