PubChemLite - (z)-resveratrol 3,4'-diglucoside (C26H32O13)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)OC4C(C(C(C(O4)CO)O)O)O

InChI

InChI=1S/C26H32O13/c27-10-17-19(30)21(32)23(34)25(38-17)36-15-5-3-12(4-6-15)1-2-13-7-14(29)9-16(8-13)37-26-24(35)22(33)20(31)18(11-28)39-26/h1-9,17-35H,10-11H2/b2-1-

InChIKey

YGQPMDDXSJHKJT-UPHRSURJSA-N

Compound name

2-(hydroxymethyl)-6-[4-[(Z)-2-[3-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]oxane-3,4,5-triol

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]+	553.19155	226.3
[M+Na]+	575.17349	230.1
[M-H]-	551.17699	220.9
[M+NH4]+	570.21809	227.0
[M+K]+	591.14743	225.7
[M+H-H2O]+	535.18153	217.6
[M+HCOO]-	597.18247	229.2
[M+CH3COO]-	611.19812	241.2
[M+Na-2H]-	573.15894	248.6
[M]+	552.18372	232.4
[M]-	552.18482	232.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.19155

226.3

[M+Na]+

575.17349

230.1

[M-H]-

551.17699

220.9

[M+NH4]+

570.21809

227.0

[M+K]+

591.14743

225.7

[M+H-H2O]+

535.18153

217.6

[M+HCOO]-

597.18247

229.2

[M+CH3COO]-

611.19812

241.2

[M+Na-2H]-

573.15894

248.6

[M]+

552.18372

232.4

[M]-

552.18482

232.4

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

(z)-resveratrol 3,4'-diglucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe