CID 44258685

Macaflavone i

Structural Information

Molecular Formula
C25H24O6
SMILES
CC(=CCC1=C2C(=CC3=C1OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C
InChI
InChI=1S/C25H24O6/c1-13(2)5-7-16-22-15(9-10-25(3,4)31-22)11-17-20(28)21(29)23(30-24(16)17)14-6-8-18(26)19(27)12-14/h5-6,8-12,26-27,29H,7H2,1-4H3
InChIKey
NRGDUDNBWFMMIW-UHFFFAOYSA-N
Compound name
8-(3,4-dihydroxyphenyl)-7-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1573 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.16458 202.7
[M+Na]+ 443.14652 212.7
[M-H]- 419.15002 209.8
[M+NH4]+ 438.19112 212.9
[M+K]+ 459.12046 209.8
[M+H-H2O]+ 403.15456 194.1
[M+HCOO]- 465.15550 214.7
[M+CH3COO]- 479.17115 226.3
[M+Na-2H]- 441.13197 204.6
[M]+ 420.15675 207.6
[M]- 420.15785 207.6
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.