CID 44258253

Asplenetin

Structural Information

Molecular Formula
C20H20O7
SMILES
CC(C)CCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C20H20O7/c1-9(2)3-4-12-18(25)17-13(22)7-11(21)8-16(17)27-20(12)10-5-14(23)19(26)15(24)6-10/h5-9,21-24,26H,3-4H2,1-2H3
InChIKey
SHVBBRIPECWRKL-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(3-methylbutyl)-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1209 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.12818 186.1
[M+Na]+ 395.11012 195.1
[M-H]- 371.11362 189.4
[M+NH4]+ 390.15472 195.3
[M+K]+ 411.08406 192.0
[M+H-H2O]+ 355.11816 178.6
[M+HCOO]- 417.11910 199.6
[M+CH3COO]- 431.13475 212.8
[M+Na-2H]- 393.09557 186.0
[M]+ 372.12035 189.6
[M]- 372.12145 189.6
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.