CID 74937233

Zingerone glucoside

Structural Information

Molecular Formula
C17H24O8
SMILES
CC(=O)CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC
InChI
InChI=1S/C17H24O8/c1-9(19)3-4-10-5-6-11(12(7-10)23-2)24-17-16(22)15(21)14(20)13(8-18)25-17/h5-7,13-18,20-22H,3-4,8H2,1-2H3
InChIKey
GXSGZLLXMDVQAS-UHFFFAOYSA-N
Compound name
4-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]butan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

356.14713 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15441 180.4
[M+Na]+ 379.13635 185.3
[M-H]- 355.13985 182.4
[M+NH4]+ 374.18095 189.4
[M+K]+ 395.11029 184.5
[M+H-H2O]+ 339.14439 173.2
[M+HCOO]- 401.14533 193.0
[M+CH3COO]- 415.16098 208.2
[M+Na-2H]- 377.12180 178.4
[M]+ 356.14658 182.4
[M]- 356.14768 182.4
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.