CID 10252339

Quercetin 3-arabinoside

Structural Information

Molecular Formula
C20H18O11
SMILES
C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@@H]4[C@@H]([C@H]([C@@H](O4)CO)O)O)O)O
InChI
InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20+/m0/s1
InChIKey
BDCDNTVZSILEOY-BQCJVYABSA-N
Compound name
3-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

762
Patents

434.0849 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.09218 197.5
[M+Na]+ 457.07412 208.2
[M+NH4]+ 452.11872 199.8
[M+K]+ 473.04806 209.5
[M-H]- 433.07762 200.4
[M+Na-2H]- 455.05957 196.9
[M]+ 434.08435 199.4
[M]- 434.08545 199.4
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