CID 44257487

6a-hydroxymaackiain

Structural Information

Molecular Formula
C16H12O6
SMILES
C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C42)OCO5)O
InChI
InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2
InChIKey
GLMPLZUBQDAZEN-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-1,16-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3
Patents

300.0634 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 162.2
[M+Na]+ 323.05262 174.9
[M+NH4]+ 318.09722 172.4
[M+K]+ 339.02656 172.5
[M-H]- 299.05612 169.1
[M+Na-2H]- 321.03807 162.8
[M]+ 300.06285 166.2
[M]- 300.06395 166.2
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

patents stripe