CID 44257489

6a,7-dihydroxymaackiain

Structural Information

Molecular Formula
C16H12O7
SMILES
C1C2(C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C(=C42)O)OCO5)O
InChI
InChI=1S/C16H12O7/c17-7-1-2-8-9(3-7)20-5-16(19)12-10(23-15(8)16)4-11-14(13(12)18)22-6-21-11/h1-4,15,17-19H,5-6H2
InChIKey
KVZNRXOMVOCEBF-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-1,3,16-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0583 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06558 161.7
[M+Na]+ 339.04752 172.2
[M-H]- 315.05102 168.8
[M+NH4]+ 334.09212 178.6
[M+K]+ 355.02146 172.3
[M+H-H2O]+ 299.05556 158.9
[M+HCOO]- 361.05650 172.8
[M+CH3COO]- 375.07215 173.9
[M+Na-2H]- 337.03297 168.9
[M]+ 316.05775 166.5
[M]- 316.05885 166.5
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.