CID 5281672

Myricetin

Structural Information

Molecular Formula
C15H10O8
SMILES
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
InChI
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
InChIKey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1751
References

20632
Patents

318.03757 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04485 166.5
[M+Na]+ 341.02679 177.5
[M-H]- 317.03029 169.4
[M+NH4]+ 336.07139 177.2
[M+K]+ 357.00073 174.6
[M+H-H2O]+ 301.03483 159.7
[M+HCOO]- 363.03577 181.5
[M+CH3COO]- 377.05142 197.7
[M+Na-2H]- 339.01224 169.9
[M]+ 318.03702 168.8
[M]- 318.03812 168.8
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

No patent data available for this compound.