CID 12314325

Pinomyricetin

Structural Information

Molecular Formula
C16H12O8
SMILES
CC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC(=C(C(=C3)O)O)O)O
InChI
InChI=1S/C16H12O8/c1-5-7(17)4-10-11(12(5)20)14(22)15(23)16(24-10)6-2-8(18)13(21)9(19)3-6/h2-4,17-21,23H,1H3
InChIKey
NGIJRTSLNOZYHQ-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

332.05322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06050 171.6
[M+Na]+ 355.04244 182.9
[M-H]- 331.04594 174.6
[M+NH4]+ 350.08704 182.0
[M+K]+ 371.01638 180.0
[M+H-H2O]+ 315.05048 164.8
[M+HCOO]- 377.05142 186.1
[M+CH3COO]- 391.06707 202.2
[M+Na-2H]- 353.02789 173.8
[M]+ 332.05267 174.7
[M]- 332.05377 174.7
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