| Number |
qtl-m0777 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
625.2132 |
| Exact mass(Da) |
625.2127 |
| Accurate mass error(ppm) |
0.81 |
| Molecular formula |
C29H36O15 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
625.2 |
| Product ions(Q3) |
177.2 |
| Main fragments |
177.2, 329.1, 311.1, 207.2, 145.2, 117.1 |
| Compound |
Acteoside |
| Identification |
putative |
| class |
Polyphenol |
| Organism |
|
| Reference |
Kanchanapoom et. al (2001) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:9953 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
61276-17-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
Verbascoside;; |
| Charge |
|
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C29H36O15;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| InChI |
InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1;; |
| InChIKey |
FBSKJMQYURKNSU-ZLSOWSIRSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C10501 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
28 Jul 2014;; |
| Mass |
|
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
223441107;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O;; |
| Secondary ChEBI ID |
|
| Star |
2;; |
| Synonyms |
Verbascoside;;Acteoside;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
