CID 5315272

Talbotaflavone

Structural Information

Molecular Formula
C30H20O10
SMILES
C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O
InChI
InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,27,29,31-36H
InChIKey
YOGANETYFUQWIM-UHFFFAOYSA-N
Compound name
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

95
Patents

540.10565 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.11293 229.5
[M+Na]+ 563.09487 237.3
[M-H]- 539.09837 239.2
[M+NH4]+ 558.13947 229.2
[M+K]+ 579.06881 236.3
[M+H-H2O]+ 523.10291 217.1
[M+HCOO]- 585.10385 236.8
[M+CH3COO]- 599.11950 235.2
[M+Na-2H]- 561.08032 228.8
[M]+ 540.10510 231.6
[M]- 540.10620 231.6
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.