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
2
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]+ 371.112536 185.0
[M+Na]+ 393.094478 195.6
[M-H]- 369.097984 191.2
[M+NH4]+ 388.139083 196.6
[M+K]+ 409.068418 193.7
[M+H-H2O]+ 353.102520 177.3
[M+HCOO]- 415.103461 196.9
[M+CH3COO]- 429.119111 195.3
[M+Na-2H]- 391.079926 189.7
[M]+ 370.10471142 188.2
[M]- 370.10580858 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.