PubChemLite - Isovitexin2''-o-arabinoside (C26H28O14)

Structural Information

Molecular Formula

SMILES

C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C26H28O14/c27-7-16-20(33)22(35)25(40-26-23(36)19(32)13(31)8-37-26)24(39-16)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2

InChIKey

ACRIYYKEWCXQOS-UHFFFAOYSA-N

Compound name

6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-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]+	565.15518	227.9
[M+Na]+	587.13712	228.6
[M+NH4]+	582.18172	227.7
[M+K]+	603.11106	234.3
[M-H]-	563.14062	221.2
[M+Na-2H]-	585.12257	246.3
[M]+	564.14735	225.7
[M]-	564.14845	225.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.15518

227.9

[M+Na]+

587.13712

228.6

[M+NH4]+

582.18172

227.7

[M+K]+

603.11106

234.3

[M-H]-

563.14062

221.2

[M+Na-2H]-

585.12257

246.3

[M]+

564.14735

225.7

[M]-

564.14845

225.7

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

Isovitexin2''-o-arabinoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe