CID 14345560

Catechin 5-glucoside

Structural Information

Molecular Formula
C21H24O11
SMILES
C1C(C(OC2=C1C(=CC(=C2)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2
InChIKey
ZESJTWVSXGZYTD-UHFFFAOYSA-N
Compound name
2-[[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

452.13187 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.13915 203.8
[M+Na]+ 475.12109 212.9
[M+NH4]+ 470.16569 205.8
[M+K]+ 491.09503 212.6
[M-H]- 451.12459 206.6
[M+Na-2H]- 473.10654 201.8
[M]+ 452.13132 205.3
[M]- 452.13242 205.3
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