CID 5317765

Glycyrrhiza flavonol a

Structural Information

Molecular Formula
C20H18O7
SMILES
CC1(C(CC2=C(O1)C=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O)O)C
InChI
InChI=1S/C20H18O7/c1-20(2)15(23)6-10-5-9(3-4-13(10)27-20)19-18(25)17(24)16-12(22)7-11(21)8-14(16)26-19/h3-5,7-8,15,21-23,25H,6H2,1-2H3
InChIKey
UFWHTSBKDGUFOX-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

0
Patents

370.10526 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11254 185.0
[M+Na]+ 393.09448 195.6
[M-H]- 369.09798 191.2
[M+NH4]+ 388.13908 196.6
[M+K]+ 409.06842 193.7
[M+H-H2O]+ 353.10252 177.3
[M+HCOO]- 415.10346 196.9
[M+CH3COO]- 429.11911 195.3
[M+Na-2H]- 391.07993 189.7
[M]+ 370.10471 188.2
[M]- 370.10581 188.2
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.