CID 130757

Antibiotic sf 2315a

Structural Information

Molecular Formula
C19H16O5
SMILES
CC1=CC(=O)[C@@H]2C3=C(CC[C@@]2(C1)O)C(=O)C4=C(C3=O)C=CC=C4O
InChI
InChI=1S/C19H16O5/c1-9-7-13(21)16-15-11(5-6-19(16,24)8-9)17(22)14-10(18(15)23)3-2-4-12(14)20/h2-4,7,16,20,24H,5-6,8H2,1H3/t16-,19+/m1/s1
InChIKey
URTQKYFPDHWPGU-APWZRJJASA-N
Compound name
(4aS,12bR)-4a,8-dihydroxy-3-methyl-4,5,6,12b-tetrahydrobenzo[a]anthracene-1,7,12-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

324.09976 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 172.5
[M+Na]+ 347.08898 185.9
[M+NH4]+ 342.13358 181.8
[M+K]+ 363.06292 177.3
[M-H]- 323.09248 174.6
[M+Na-2H]- 345.07443 175.9
[M]+ 324.09921 175.1
[M]- 324.10031 175.1
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.