CID 119418

Curvularin

Structural Information

Molecular Formula
C16H20O5
SMILES
C[C@H]1CCCCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
InChI
InChI=1S/C16H20O5/c1-10-5-3-2-4-6-13(18)16-11(8-15(20)21-10)7-12(17)9-14(16)19/h7,9-10,17,19H,2-6,8H2,1H3/t10-/m0/s1
InChIKey
VDUIGYAPSXCJFC-JTQLQIEISA-N
Compound name
(5S)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

40
References

135
Patents

292.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13835 163.7
[M+Na]+ 315.12029 170.4
[M-H]- 291.12379 164.3
[M+NH4]+ 310.16489 175.2
[M+K]+ 331.09423 168.9
[M+H-H2O]+ 275.12833 161.4
[M+HCOO]- 337.12927 177.6
[M+CH3COO]- 351.14492 193.0
[M+Na-2H]- 313.10574 164.8
[M]+ 292.13052 158.4
[M]- 292.13162 158.4
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

No patent data available for this compound.