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 179.2
[M+Na]+ 381.11559 183.8
[M-H]- 357.11909 178.9
[M+NH4]+ 376.16019 186.6
[M+K]+ 397.08953 183.3
[M+H-H2O]+ 341.12363 172.6
[M+HCOO]- 403.12457 188.1
[M+CH3COO]- 417.14022 206.7
[M+Na-2H]- 379.10104 175.0
[M]+ 358.12582 178.5
[M]- 358.12692 178.5
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

patents stripe