CID 24013844

4-hydroxymaackiain

Structural Information

Molecular Formula
C16H12O6
SMILES
C1C2C(C3=C(O1)C(=C(C=C3)O)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C16H12O6/c17-10-2-1-7-15-9(5-19-16(7)14(10)18)8-3-12-13(21-6-20-12)4-11(8)22-15/h1-4,9,15,17-18H,5-6H2
InChIKey
GGIPOZCJJKKBBV-UHFFFAOYSA-N
Compound name
5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene-16,17-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.070676 158.6
[M+Na]+ 323.052618 168.7
[M-H]- 299.056124 166.8
[M+NH4]+ 318.097223 175.0
[M+K]+ 339.026558 168.8
[M+H-H2O]+ 283.060660 155.7
[M+HCOO]- 345.061601 171.2
[M+CH3COO]- 359.077251 171.3
[M+Na-2H]- 321.038066 164.7
[M]+ 300.06285142 163.1
[M]- 300.06394858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.