| Number |
qtl-m0316 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
347.0763 |
| Exact mass(Da) |
347.0761 |
| Accurate mass error(ppm) |
0.45 |
| Molecular formula |
C17H14O8 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
347.1 |
| Product ions(Q3) |
153.2 |
| Main fragments |
153.2, 285.1, 257.1, 229.2, 201.2 |
| Compound |
Axillarin |
| Identification |
putative |
| class |
Flavonoid |
| Organism |
|
| Reference |
Meng et. al (2001) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:2941 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
5188-73-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
axillarin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A dimethoxyflavone that is the 3,6-dimethyl ether derivative of quercetagetin.;; |
| DrugBank Database Links |
|
| Formulae |
C17H14O8;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one;; |
| InChI |
InChI=1S/C17H14O8/c1-23-16-10(20)6-11-12(13(16)21)14(22)17(24-2)15(25-11)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3;; |
| InChIKey |
KIGVXRGRNLQNNI-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10021 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12112990;; |
| Last Modified |
02 Jun 2015;; |
| Mass |
346.28830;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223439060;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
25924515;;25541045;;24689280;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Quercetagetin 3,6-dimethyl ether;;3,6-Dimethoxyquercetagetin;;3',4',5,7-Tetrahydroxy-3,6-dimethoxyflavone;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
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