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]+ 357.096876 174.6
[M+Na]+ 379.078818 186.9
[M-H]- 355.082324 184.5
[M+NH4]+ 374.123423 191.2
[M+K]+ 395.052758 186.7
[M+H-H2O]+ 339.086860 170.7
[M+HCOO]- 401.087801 191.5
[M+CH3COO]- 415.103451 187.9
[M+Na-2H]- 377.064266 179.7
[M]+ 356.08905142 185.3
[M]- 356.09014858 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.