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 170.6
[M+Na]+ 351.08392 180.1
[M-H]- 327.08742 177.2
[M+NH4]+ 346.12852 186.6
[M+K]+ 367.05786 177.9
[M+H-H2O]+ 311.09196 165.2
[M+HCOO]- 373.09290 184.3
[M+CH3COO]- 387.10855 210.4
[M+Na-2H]- 349.06937 173.3
[M]+ 328.09415 173.7
[M]- 328.09525 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