CID 131752570

2-o-(4-hydroxycinnamoyl)-1-o-galloyl-beta-d-glucopyranoside

Structural Information

Molecular Formula
C22H22O12
SMILES
C1=CC(=CC=C1/C=C\C(=O)OC2C(C(C(OC2OC(=O)C3=CC(=C(C(=C3)O)O)O)CO)O)O)O
InChI
InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-
InChIKey
SWCFDHFIUQJCLJ-UTCJRWHESA-N
Compound name
[4,5-dihydroxy-6-(hydroxymethyl)-3-[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxyoxan-2-yl] 3,4,5-trihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.1111 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.11838 207.2
[M+Na]+ 501.10032 214.4
[M+NH4]+ 496.14492 206.8
[M+K]+ 517.07426 215.3
[M-H]- 477.10382 206.5
[M+Na-2H]- 499.08577 205.7
[M]+ 478.11055 207.2
[M]- 478.11165 207.2
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.