Systematic / IUPAC Name: 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
ID: Reference25
Other Names:
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one;
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one;
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-;
Cannabiscetin;
Myricetol
Formula: C15H10O8
Class: Endogenous Metabolites
Myricetin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | LTQ Orbitrap XL; Orbitrap Elite; Q Exactive Orbitrap |
No. of Spectral Trees | 9 |
No. of Spectra | 4232 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | ESI; NSI |
Analyzers | IT; FT |
Last Modification | 10/10/2016 10:55:39 AM |
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 |
InChI Key | IKMDFBPHZNJCSN-UHFFFAOYSA-N |
Canonical SMILES | C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O |
CAS | 529442 |
Splash | |
Other Names |
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one; 3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one; 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-; Cannabiscetin; Myricetol; Myc |