CID 131751358

Vestitone 7-glucoside

Structural Information

Molecular Formula
C22H26O9
SMILES
COC1=CC(=C(C=C1)C2CC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2)O
InChI
InChI=1S/C22H26O9/c1-28-13-4-5-15(16(24)7-13)12-6-11-2-3-14(8-17(11)29-10-12)30-22-21(27)20(26)19(25)18(9-23)31-22/h2-5,7-8,12,18-27H,6,9-10H2,1H3
InChIKey
NJODPRHPJQYTHX-UHFFFAOYSA-N
Compound name
2-[[3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.15768 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.16496 201.7
[M+Na]+ 457.14690 212.6
[M+NH4]+ 452.19150 205.9
[M+K]+ 473.12084 209.6
[M-H]- 433.15040 206.8
[M+Na-2H]- 455.13235 202.5
[M]+ 434.15713 204.4
[M]- 434.15823 204.4
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.