CID 131752852

(e)-oxyresveratrol 3'-o-b-d-glucoside

Structural Information

Molecular Formula
C20H22O9
SMILES
C1=CC(=C(C=C1O)O)/C=C\C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O
InChI
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-14-6-10(5-13(23)7-14)1-2-11-3-4-12(22)8-15(11)24/h1-8,16-27H,9H2/b2-1-
InChIKey
GGQVPULXXVQLRT-UPHRSURJSA-N
Compound name
2-[3-[(Z)-2-(2,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.12637 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.133646 193.3
[M+Na]+ 429.115588 198.2
[M-H]- 405.119094 195.1
[M+NH4]+ 424.160193 197.9
[M+K]+ 445.089528 195.1
[M+H-H2O]+ 389.123630 184.9
[M+HCOO]- 451.124571 202.5
[M+CH3COO]- 465.140221 212.1
[M+Na-2H]- 427.101036 190.5
[M]+ 406.12582142 191.3
[M]- 406.12691858 191.3
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.