CID 5490092

Chrysin-7beta-monoglucoside

Structural Information

Molecular Formula
C21H20O9
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-11-6-12(23)17-13(24)8-14(29-15(17)7-11)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1
InChIKey
PIJHQWMTZXDYER-QNDFHXLGSA-N
Compound name
5-hydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

416.11072 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 194.5
[M+Na]+ 439.09994 201.3
[M-H]- 415.10344 200.9
[M+NH4]+ 434.14454 199.6
[M+K]+ 455.07388 200.3
[M+H-H2O]+ 399.10798 185.2
[M+HCOO]- 461.10892 205.0
[M+CH3COO]- 475.12457 218.3
[M+Na-2H]- 437.08539 195.8
[M]+ 416.11017 195.9
[M]- 416.11127 195.9
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

patents stripe