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
7
Annotation Hits

1733
References

20823
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 168.2
[M+Na]+ 341.02679 182.1
[M+NH4]+ 336.07139 172.8
[M+K]+ 357.00073 179.4
[M-H]- 317.03029 170.1
[M+Na-2H]- 339.01224 171.3
[M]+ 318.03702 170.5
[M]- 318.03812 170.5
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