CID 131752139

(z)-resveratrol 3-glucoside 5-sulfate

Structural Information

Molecular Formula
C20H22O11S
SMILES
C1=CC(=CC=C1/C=C\C2=CC(=CC(=C2)OS(=O)(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O
InChI
InChI=1S/C20H22O11S/c21-10-16-17(23)18(24)19(25)20(30-16)29-14-7-12(8-15(9-14)31-32(26,27)28)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1-
InChIKey
WYPZTOJGOQAJJD-UPHRSURJSA-N
Compound name
[3-[(Z)-2-(4-hydroxyphenyl)ethenyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.0883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.09558 202.9
[M+Na]+ 493.07752 210.7
[M+NH4]+ 488.12212 204.0
[M+K]+ 509.05146 208.6
[M-H]- 469.08102 202.9
[M+Na-2H]- 491.06297 203.7
[M]+ 470.08775 203.9
[M]- 470.08885 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.