CID 44257262

3'-hydroxy-8-o-methylretusin

Structural Information

Molecular Formula
C17H14O6
SMILES
COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O)O
InChI
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
InChIKey
YYWSNCLFZSMGCM-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

314.07904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.086316 167.8
[M+Na]+ 337.068258 178.7
[M-H]- 313.071764 175.1
[M+NH4]+ 332.112863 181.3
[M+K]+ 353.042198 176.6
[M+H-H2O]+ 297.076300 160.0
[M+HCOO]- 359.077241 188.1
[M+CH3COO]- 373.092891 203.6
[M+Na-2H]- 335.053706 173.2
[M]+ 314.07849142 174.0
[M]- 314.07958858 174.0
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

patents stripe