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

1
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

patents stripe