CID 44258733

(-)-8-(2-carboxy-1-phenylethyl)-3,5,7-trihydroxyflavone delta-lactone

Structural Information

Molecular Formula
C24H16O6
SMILES
C1C(C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=CC=C4)O)OC1=O)C5=CC=CC=C5
InChI
InChI=1S/C24H16O6/c25-16-12-17-19(15(11-18(26)29-17)13-7-3-1-4-8-13)24-20(16)21(27)22(28)23(30-24)14-9-5-2-6-10-14/h1-10,12,15,25,28H,11H2
InChIKey
SXMQPTBFMABSHL-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2,10-diphenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0947 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10198 193.4
[M+Na]+ 423.08392 202.8
[M-H]- 399.08742 204.4
[M+NH4]+ 418.12852 201.9
[M+K]+ 439.05786 199.7
[M+H-H2O]+ 383.09196 182.9
[M+HCOO]- 445.09290 208.1
[M+CH3COO]- 459.10855 203.3
[M+Na-2H]- 421.06937 197.8
[M]+ 400.09415 195.2
[M]- 400.09525 195.2
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.