| Number |
qtl-m0442 |
| Declustering Potential(DP) |
10 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
433.1137 |
| Exact mass(Da) |
433.1129 |
| Accurate mass error(ppm) |
1.8 |
| Molecular formula |
C21H20O10 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
433.1 |
| Product ions(Q3) |
367.1 |
| Main fragments |
367.1, 397.1, 379.2, 349.1, 337.2, 313.1 |
| Compound |
Apigenin 8-C-glucoside |
| Identification |
standard |
| class |
Flavonoid |
| Organism |
|
| Reference |
Cavaliere C et. al (2005) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16954 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
3681-93-4;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
vitexin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet;; |
| DrugBank Database Links |
|
| Formulae |
C21H20O10;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol;; |
| InChI |
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1;; |
| InChIKey |
SGEWCQFRYRRZDC-VPRICQMDSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMPK12110194;; |
| Last Modified |
27 Mar 2015;; |
| Mass |
432.37750;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2008242855;;US2008233242;;EP1925311;;EP1731522;; |
| PubChem Database Links |
8144748;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
23099258;;22941432;;22683902;;22408451;;21809948;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
6399;; |
| SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1;; |
| Secondary ChEBI ID |
CHEBI:27308;;CHEBI:10012;;CHEBI:15315;; |
| Star |
3;; |
| Synonyms |
apigenin 8-C-glucoside;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
