CID 90657490

Luteolinidin 5-o-glucoside

Structural Information

Molecular Formula
C21H20O10
SMILES
C1=CC(=C(C=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)O
InChI
InChI=1S/C21H20O10/c22-8-17-18(26)19(27)20(28)21(31-17)30-16-7-10(23)6-15-11(16)2-4-14(29-15)9-1-3-12(24)13(25)5-9/h1-7,17-22,24-28H,8H2/t17-,18-,19+,20-,21-/m1/s1
InChIKey
DNAXEMDYVIADMU-YMQHIKHWSA-N
Compound name
2-(3,4-dihydroxyphenyl)-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

432.10565 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 198.9
[M+Na]+ 455.09487 211.2
[M+NH4]+ 450.13947 202.1
[M+K]+ 471.06881 208.9
[M-H]- 431.09837 203.4
[M+Na-2H]- 453.08032 200.2
[M]+ 432.10510 201.6
[M]- 432.10620 201.6
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.