CID 156387

Antibiotic ws5995a

Structural Information

Molecular Formula
C19H12O6
SMILES
CC1=CC2=C(C(=C1)OC)C3=C(C(=O)C4=C(C3=O)C=CC=C4O)OC2=O
InChI
InChI=1S/C19H12O6/c1-8-6-10-14(12(7-8)24-2)15-16(21)9-4-3-5-11(20)13(9)17(22)18(15)25-19(10)23/h3-7,20H,1-2H3
InChIKey
LUXDHHSVJLVLPS-UHFFFAOYSA-N
Compound name
8-hydroxy-1-methoxy-3-methylnaphtho[3,2-c]isochromene-5,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

336.0634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07068 172.7
[M+Na]+ 359.05262 189.7
[M+NH4]+ 354.09722 180.5
[M+K]+ 375.02656 182.8
[M-H]- 335.05612 177.0
[M+Na-2H]- 357.03807 176.6
[M]+ 336.06285 176.5
[M]- 336.06395 176.5
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

patents stripe