CID 13337184

Antibiotic ucf76 c

Structural Information

Molecular Formula
C18H16O6
SMILES
CCCC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O
InChI
InChI=1S/C18H16O6/c1-2-4-10-14-15(18-11(23-10)7-12(20)24-18)16(21)8-5-3-6-9(19)13(8)17(14)22/h3,5-6,10-11,18-19H,2,4,7H2,1H3
InChIKey
AVCPRTNVVRPELB-UHFFFAOYSA-N
Compound name
4-hydroxy-17-propyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

328.0947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.101976 170.6
[M+Na]+ 351.083918 180.1
[M-H]- 327.087424 177.2
[M+NH4]+ 346.128523 186.6
[M+K]+ 367.057858 177.9
[M+H-H2O]+ 311.091960 165.2
[M+HCOO]- 373.092901 184.3
[M+CH3COO]- 387.108551 210.4
[M+Na-2H]- 349.069366 173.3
[M]+ 328.09415142 173.7
[M]- 328.09524858 173.7
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

patents stripe