CID 85241696

(1s,3r,4r)-8,10-dihydroxyfenchone 10-o-b-d-glucoside

Structural Information

Molecular Formula
C16H26O8
SMILES
CC1(C2CCC(C2)(C1=O)COC3C(C(C(C(O3)CO)O)O)O)CO
InChI
InChI=1S/C16H26O8/c1-15(6-18)8-2-3-16(4-8,14(15)22)7-23-13-12(21)11(20)10(19)9(5-17)24-13/h8-13,17-21H,2-7H2,1H3
InChIKey
VOSKDOKSPQKSPY-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-3-methyl-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16278 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17006 175.1
[M+Na]+ 369.15200 178.8
[M+NH4]+ 364.19660 181.7
[M+K]+ 385.12594 178.0
[M-H]- 345.15550 172.9
[M+Na-2H]- 367.13745 172.8
[M]+ 346.16223 174.5
[M]- 346.16333 174.5
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.