CID 44260089

3,4,8,10-tetrahydroxy-9-methoxy[2]benzopyrano[4,3-b][1]benzopyran-5,7-dione

Structural Information

Molecular Formula
C17H10O9
SMILES
COC1=C(C2=C(C=C1O)OC3=C(C2=O)OC(=O)C4=C3C=CC(=C4O)O)O
InChI
InChI=1S/C17H10O9/c1-24-15-7(19)4-8-10(12(15)21)13(22)16-14(25-8)5-2-3-6(18)11(20)9(5)17(23)26-16/h2-4,18-21H,1H3
InChIKey
SLUGCDLLXDGNNT-UHFFFAOYSA-N
Compound name
3,4,8,10-tetrahydroxy-9-methoxyisochromeno[4,3-b]chromene-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.03247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03975 174.3
[M+Na]+ 381.02169 188.2
[M-H]- 357.02519 179.8
[M+NH4]+ 376.06629 185.6
[M+K]+ 396.99563 187.5
[M+H-H2O]+ 341.02973 166.6
[M+HCOO]- 403.03067 190.0
[M+CH3COO]- 417.04632 211.5
[M+Na-2H]- 379.00714 182.3
[M]+ 358.03192 184.1
[M]- 358.03302 184.1
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.