CID 346340

6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-2-one

Structural Information

Molecular Formula
C16H18O9
SMILES
COC1=C(C=C2C(=C1)C=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3
InChIKey
SGTCGCCQZOUMJJ-UHFFFAOYSA-N
Compound name
6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

104
References

426
Patents

354.0951 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.10238 177.0
[M+Na]+ 377.08432 188.3
[M+NH4]+ 372.12892 181.1
[M+K]+ 393.05826 186.2
[M-H]- 353.08782 179.9
[M+Na-2H]- 375.06977 177.7
[M]+ 354.09455 179.1
[M]- 354.09565 179.1
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

patents stripe