Isolariciresinol 9'-o-alpha-l-arabinofuranoside (C25H32O10)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(C(C(CC2=C1)CO)COC3C(C(C(O3)CO)O)O)C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3

InChIKey

HLTAJPBMZNNKMA-UHFFFAOYSA-N

Compound name

2-[[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

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]+	493.206826	213.3
[M+Na]+	515.188768	217.2
[M-H]-	491.192274	217.2
[M+NH4]+	510.233373	218.1
[M+K]+	531.162708	215.8
[M+H-H2O]+	475.196810	205.9
[M+HCOO]-	537.197751	221.0
[M+CH3COO]-	551.213401	233.2
[M+Na-2H]-	513.174216	208.0
[M]+	492.19900142	216.1
[M]-	492.20009858	216.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.206826

213.3

[M+Na]+

515.188768

217.2

[M-H]-

491.192274

217.2

[M+NH4]+

510.233373

218.1

[M+K]+

531.162708

215.8

[M+H-H2O]+

475.196810

205.9

[M+HCOO]-

537.197751

221.0

[M+CH3COO]-

551.213401

233.2

[M+Na-2H]-

513.174216

208.0

[M]+

492.19900142

216.1

[M]-

492.20009858

216.1

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

Isolariciresinol 9'-o-alpha-l-arabinofuranoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe