CID 78384828

3-hydroxychavicol 1-glucoside

Structural Information

Molecular Formula
C15H20O7
SMILES
C=CCC1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)O
InChI
InChI=1S/C15H20O7/c1-2-3-8-4-5-10(9(17)6-8)21-15-14(20)13(19)12(18)11(7-16)22-15/h2,4-6,11-20H,1,3,7H2
InChIKey
SUXVWSIPTXXPOZ-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-(2-hydroxy-4-prop-2-enylphenoxy)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

312.1209 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.128176 170.2
[M+Na]+ 335.110118 176.1
[M-H]- 311.113624 171.2
[M+NH4]+ 330.154723 180.5
[M+K]+ 351.084058 173.4
[M+H-H2O]+ 295.118160 163.6
[M+HCOO]- 357.119101 182.8
[M+CH3COO]- 371.134751 196.8
[M+Na-2H]- 333.095566 169.6
[M]+ 312.12035142 168.9
[M]- 312.12144858 168.9
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

patents stripe