PubChemLite - Hesperetin 7-o-glucoside (C22H24O11)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](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/t15-,17+,19+,20-,21+,22+/m0/s1

InChIKey

ADSYMQORONDIDD-ZJHVPRRPSA-N

Compound name

(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-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	205.8
[M+Na]+	487.12109	210.5
[M-H]-	463.12459	210.3
[M+NH4]+	482.16569	208.2
[M+K]+	503.09503	211.1
[M+H-H2O]+	447.12913	196.5
[M+HCOO]-	509.13007	211.6
[M+CH3COO]-	523.14572	228.8
[M+Na-2H]-	485.10654	203.8
[M]+	464.13132	206.9
[M]-	464.13242	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.13915

205.8

[M+Na]+

487.12109

210.5

[M-H]-

463.12459

210.3

[M+NH4]+

482.16569

208.2

[M+K]+

503.09503

211.1

[M+H-H2O]+

447.12913

196.5

[M+HCOO]-

509.13007

211.6

[M+CH3COO]-

523.14572

228.8

[M+Na-2H]-

485.10654

203.8

[M]+

464.13132

206.9

[M]-

464.13242

206.9

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

Hesperetin 7-o-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe