CID 91412699

Chakanoside i

Structural Information

Molecular Formula
C14H18O7
SMILES
C1=CC=C(C=C1)C(=O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C14H18O7/c15-6-10-11(17)12(18)13(19)14(21-10)20-7-9(16)8-4-2-1-3-5-8/h1-5,10-15,17-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1
InChIKey
CJQCIXJPXYAJCU-RKQHYHRCSA-N
Compound name
1-phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.10526 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 165.9
[M+Na]+ 321.09448 175.0
[M+NH4]+ 316.13908 170.3
[M+K]+ 337.06842 172.8
[M-H]- 297.09798 166.9
[M+Na-2H]- 319.07993 167.5
[M]+ 298.10471 167.0
[M]- 298.10581 167.0
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.