CID 131752573

[3,4,5-trihydroxy-6-[[(z)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate

Structural Information

Molecular Formula
C22H22O11
SMILES
C1=CC=C(C=C1)/C=C\C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O
InChI
InChI=1S/C22H22O11/c23-13-8-12(9-14(24)17(13)26)21(30)33-22-20(29)19(28)18(27)15(32-22)10-31-16(25)7-6-11-4-2-1-3-5-11/h1-9,15,18-20,22-24,26-29H,10H2/b7-6-
InChIKey
REBRERQNUHGTMS-SREVYHEPSA-N
Compound name
[3,4,5-trihydroxy-6-[[(Z)-3-phenylprop-2-enoyl]oxymethyl]oxan-2-yl] 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.1162 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.12348 204.5
[M+Na]+ 485.10542 212.4
[M+NH4]+ 480.15002 205.0
[M+K]+ 501.07936 212.2
[M-H]- 461.10892 204.7
[M+Na-2H]- 483.09087 204.2
[M]+ 462.11565 204.9
[M]- 462.11675 204.9
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.