CID 13473703

Glucoliquiritigenin

Structural Information

Molecular Formula
C21H22O9
SMILES
C1C(OC2=C(C1=O)C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-5-6-13-14(24)8-15(29-16(13)7-12)10-1-3-11(23)4-2-10/h1-7,15,17-23,25-27H,8-9H2
InChIKey
HJBUYKZTEBZNSH-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

184
Patents

418.12637 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.133646 195.5
[M+Na]+ 441.115588 200.4
[M-H]- 417.119094 201.0
[M+NH4]+ 436.160193 200.3
[M+K]+ 457.089528 199.5
[M+H-H2O]+ 401.123630 186.5
[M+HCOO]- 463.124571 203.2
[M+CH3COO]- 477.140221 219.0
[M+Na-2H]- 439.101036 195.2
[M]+ 418.12582142 194.2
[M]- 418.12691858 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.