CID 75051748

Eugenol o-[3,4,5-trihydroxybenzoyl-(->6)-b-d-glucopyranoside]

Structural Information

Molecular Formula
C23H26O11
SMILES
COC1=C(C=CC(=C1)CC=C)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI
InChI=1S/C23H26O11/c1-3-4-11-5-6-15(16(7-11)31-2)33-23-21(29)20(28)19(27)17(34-23)10-32-22(30)12-8-13(24)18(26)14(25)9-12/h3,5-9,17,19-21,23-29H,1,4,10H2,2H3
InChIKey
MXIGGCCKAQLWPD-UHFFFAOYSA-N
Compound name
[3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.14752 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.15480 210.8
[M+Na]+ 501.13674 219.5
[M+NH4]+ 496.18134 211.5
[M+K]+ 517.11068 218.6
[M-H]- 477.14024 211.6
[M+Na-2H]- 499.12219 210.1
[M]+ 478.14697 211.6
[M]- 478.14807 211.6
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.