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
2
Annotation Hits

19
References

228
Patents

328.0947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.0
[M+Na]+ 351.08392 184.2
[M+NH4]+ 346.12852 179.3
[M+K]+ 367.05786 181.0
[M-H]- 327.08742 175.8
[M+Na-2H]- 349.06937 171.1
[M]+ 328.09415 174.7
[M]- 328.09525 174.7
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