PubChemLite - Hesperetin 7-glucoside (C22H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O

InChI

InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3

InChIKey

ADSYMQORONDIDD-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	465.13915	206.4
[M+Na]+	487.12109	216.4
[M+NH4]+	482.16569	208.7
[M+K]+	503.09503	215.2
[M-H]-	463.12459	209.9
[M+Na-2H]-	485.10654	205.2
[M]+	464.13132	208.3
[M]-	464.13242	208.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.13915

206.4

[M+Na]+

487.12109

216.4

[M+NH4]+

482.16569

208.7

[M+K]+

503.09503

215.2

[M-H]-

463.12459

209.9

[M+Na-2H]-

485.10654

205.2

[M]+

464.13132

208.3

[M]-

464.13242

208.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hesperetin 7-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe