CID 440195

Flavanone 7-o-glucoside

Structural Information

Molecular Formula
C21H22O8
SMILES
C1C(OC2=C(C1=O)C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=CC=C4
InChI
InChI=1S/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(28-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15?,17-,18-,19+,20-,21-/m1/s1
InChIKey
HPMCYOSTTZQBAP-UZQFATADSA-N
Compound name
2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

402.13147 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13875 193.0
[M+Na]+ 425.12069 204.9
[M+NH4]+ 420.16529 198.0
[M+K]+ 441.09463 201.0
[M-H]- 401.12419 198.8
[M+Na-2H]- 423.10614 195.2
[M]+ 402.13092 196.1
[M]- 402.13202 196.1
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