CID 10760703

Dihydrohydroxy-o-methylsterigmatocystin

Structural Information

Molecular Formula
C19H16O7
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C=C4C(=C3O2)C5CC(OC5O4)O)OC
InChI
InChI=1S/C19H16O7/c1-22-9-4-3-5-10-15(9)17(21)16-11(23-2)7-12-14(18(16)24-10)8-6-13(20)26-19(8)25-12/h3-5,7-8,13,19-20H,6H2,1-2H3
InChIKey
ATDWDHGTLHHXNU-UHFFFAOYSA-N
Compound name
5-hydroxy-11,15-dimethoxy-6,8,20-trioxapentacyclo[10.8.0.02,9.03,7.014,19]icosa-1,9,11,14(19),15,17-hexaen-13-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.0896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.09688 174.6
[M+Na]+ 379.07882 186.9
[M-H]- 355.08232 184.5
[M+NH4]+ 374.12342 191.2
[M+K]+ 395.05276 186.7
[M+H-H2O]+ 339.08686 170.7
[M+HCOO]- 401.08780 191.5
[M+CH3COO]- 415.10345 187.9
[M+Na-2H]- 377.06427 179.7
[M]+ 356.08905 185.3
[M]- 356.09015 185.3
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.