CID 13870534

4,2'-dihydroxy-4',6'-dimethoxychalcone 4-apiosyl-(1->2)-glucoside

Structural Information

Molecular Formula
C28H34O14
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(CO4)(CO)O)O)O
InChI
InChI=1S/C28H34O14/c1-37-16-9-18(32)21(19(10-16)38-2)17(31)8-5-14-3-6-15(7-4-14)40-26-24(23(34)22(33)20(11-29)41-26)42-27-25(35)28(36,12-30)13-39-27/h3-10,20,22-27,29-30,32-36H,11-13H2,1-2H3/b8-5+
InChIKey
OPOKVNGZZHTLNA-VMPITWQZSA-N
Compound name
(E)-3-[4-[3-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.1949 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.20218 232.0
[M+Na]+ 617.18412 236.2
[M-H]- 593.18762 229.7
[M+NH4]+ 612.22872 233.5
[M+K]+ 633.15806 232.7
[M+H-H2O]+ 577.19216 220.1
[M+HCOO]- 639.19310 235.5
[M+CH3COO]- 653.20875 249.3
[M+Na-2H]- 615.16957 251.0
[M]+ 594.19435 238.9
[M]- 594.19545 238.9
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.