PubChemLite - 8-hydroxypinoresinol 4-glucoside (C26H32O12)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)C2C3COC(C3(CO2)O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O

InChI

InChI=1S/C26H32O12/c1-33-17-7-12(3-5-15(17)28)23-14-10-35-24(26(14,32)11-36-23)13-4-6-16(18(8-13)34-2)37-25-22(31)21(30)20(29)19(9-27)38-25/h3-8,14,19-25,27-32H,9-11H2,1-2H3

InChIKey

ORRYWOBRSQRASU-UHFFFAOYSA-N

Compound name

2-[4-[3a-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)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]+	537.19668	220.4
[M+Na]+	559.17862	227.3
[M+NH4]+	554.22322	223.6
[M+K]+	575.15256	229.4
[M-H]-	535.18212	225.6
[M+Na-2H]-	557.16407	218.9
[M]+	536.18885	222.5
[M]-	536.18995	222.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.19668

220.4

[M+Na]+

559.17862

227.3

[M+NH4]+

554.22322

223.6

[M+K]+

575.15256

229.4

[M-H]-

535.18212

225.6

[M+Na-2H]-

557.16407

218.9

[M]+

536.18885

222.5

[M]-

536.18995

222.5

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

8-hydroxypinoresinol 4-glucoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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