CID 21676156

5,7,8,3',4'-pentahydroxy-3,6-dimethoxyflavone

Structural Information

Molecular Formula
C17H14O9
SMILES
COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)O)O
InChI
InChI=1S/C17H14O9/c1-24-16-10(20)9-11(21)17(25-2)14(26-15(9)12(22)13(16)23)6-3-4-7(18)8(19)5-6/h3-5,18-20,22-23H,1-2H3
InChIKey
UDKMHQFJYPBQRT-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3,6-dimethoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07106 177.6
[M+Na]+ 385.05300 188.5
[M-H]- 361.05650 181.7
[M+NH4]+ 380.09760 187.2
[M+K]+ 401.02694 187.1
[M+H-H2O]+ 345.06104 169.9
[M+HCOO]- 407.06198 193.4
[M+CH3COO]- 421.07763 209.5
[M+Na-2H]- 383.03845 180.0
[M]+ 362.06323 184.1
[M]- 362.06433 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.