CID 90658638

Apigeninidin 5-o-glucoside

Structural Information

Molecular Formula
C21H20O9
SMILES
C1=CC(=CC=C1C2=CC=C3C(=CC(=O)C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O2)O
InChI
InChI=1S/C21H20O9/c22-9-17-18(25)19(26)20(27)21(30-17)29-16-8-12(24)7-15-13(16)5-6-14(28-15)10-1-3-11(23)4-2-10/h1-8,17-23,25-27H,9H2/t17-,18-,19+,20-,21-/m1/s1
InChIKey
NPBPQUCRDJNDPF-YMQHIKHWSA-N
Compound name
2-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-7-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

416.11072 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11800 195.5
[M+Na]+ 439.09994 208.5
[M+NH4]+ 434.14454 199.7
[M+K]+ 455.07388 205.1
[M-H]- 415.10344 200.9
[M+Na-2H]- 437.08539 198.1
[M]+ 416.11017 198.6
[M]- 416.11127 198.6
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.