CID 73009474

Phlorisobutyrophenone 2-glucoside

Structural Information

Molecular Formula
C16H22O9
SMILES
CC(C)C(=O)C1=C(C=C(C=C1OC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C16H22O9/c1-6(2)12(20)11-8(19)3-7(18)4-9(11)24-16-15(23)14(22)13(21)10(5-17)25-16/h3-4,6,10,13-19,21-23H,5H2,1-2H3
InChIKey
PSBKCHXAPMSDFN-UHFFFAOYSA-N
Compound name
1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

358.12637 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13365 180.3
[M+Na]+ 381.11559 187.5
[M+NH4]+ 376.16019 182.2
[M+K]+ 397.08953 188.1
[M-H]- 357.11909 179.0
[M+Na-2H]- 379.10104 178.2
[M]+ 358.12582 180.2
[M]- 358.12692 180.2
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

patents stripe