Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one
ID: Reference7853
Other Names:
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one);
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one;
3',4',5,7-Tetrahydroxy-3-methoxyflavone;
3',4',5',7'-Tetrahydroxy-3-methoxyflavone
; more
Formula: C16H12O7
3-Methoxy-5,7,3',4'-tetrahydroxy-flavone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 3 |
No. of Spectra | 1490 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/24/2018 12:46:10 PM |
InChI | InChI=1S/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3 |
InChI Key | WEPBGSIAWZTEJR-UHFFFAOYSA-N |
Canonical SMILES | COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O |
CAS | 1486700 |
Splash | |
Other Names |
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one); 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one; 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one; 3',4',5,7-Tetrahydroxy-3-methoxyflavone; 3',4',5',7'-Tetrahydroxy-3-methoxyflavone; 3-O-Methyl quercetin; 3-Methoxy quercetin; 3-Methoxy-3',4',5,7-tetrahydroxyflavone; 3-Methoxy-5,7,3',4'-tetrahydroxyflavone; 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-; Flavone, 3',4',5,7-tetrahydroxy-3-methoxy-; Quercetin 3-O-methyl ether; Quercetin 3-methyl ether |
ChEBI | CHEBI:16860 |
ChEMBL | CHEMBL163316 |
PubChem | 5280681 |
ChemIDPlus | 001486700 |
ChemSpider | 4444273 |
KEGG | C04443 |