CID 73815120

(1r,4r,5s)-5-hydroxyfenchone glucoside

Structural Information

Molecular Formula
C16H26O7
SMILES
CC1(C2CC(C1=O)(CC2OC3C(C(C(C(O3)CO)O)O)O)C)C
InChI
InChI=1S/C16H26O7/c1-15(2)7-4-16(3,14(15)21)5-8(7)22-13-12(20)11(19)10(18)9(6-17)23-13/h7-13,17-20H,4-6H2,1-3H3
InChIKey
WZIIAEDQDFVGCF-UHFFFAOYSA-N
Compound name
1,3,3-trimethyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16785 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 171.8
[M+Na]+ 353.15707 176.9
[M+NH4]+ 348.20167 179.4
[M+K]+ 369.13101 175.5
[M-H]- 329.16057 170.7
[M+Na-2H]- 351.14252 170.2
[M]+ 330.16730 171.9
[M]- 330.16840 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.