CID 5320646

Putraflavone

Structural Information

Molecular Formula
C32H22O10
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)OC)O)O
InChI
InChI=1S/C32H22O10/c1-39-17-6-3-15(4-7-17)26-14-25(38)31-23(36)12-22(35)29(32(31)42-26)19-9-16(5-8-20(19)33)27-13-24(37)30-21(34)10-18(40-2)11-28(30)41-27/h3-14,33-36H,1-2H3
InChIKey
GZTVUTQZSAZUIY-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-methoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

566.1213 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.12858 239.4
[M+Na]+ 589.11052 249.6
[M-H]- 565.11402 252.3
[M+NH4]+ 584.15512 239.4
[M+K]+ 605.08446 249.4
[M+H-H2O]+ 549.11856 225.2
[M+HCOO]- 611.11950 252.6
[M+CH3COO]- 625.13515 246.5
[M+Na-2H]- 587.09597 240.3
[M]+ 566.12075 248.6
[M]- 566.12185 248.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.