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 200.8
[M+Na]+ 457.14690 205.0
[M-H]- 433.15040 206.1
[M+NH4]+ 452.19150 205.1
[M+K]+ 473.12084 204.5
[M+H-H2O]+ 417.15494 191.6
[M+HCOO]- 479.15588 208.0
[M+CH3COO]- 493.17153 222.4
[M+Na-2H]- 455.13235 200.0
[M]+ 434.15713 200.5
[M]- 434.15823 200.5
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.