| Number |
qtl-m0388 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
397.1471 |
| Exact mass(Da) |
397.1468 |
| Accurate mass error(ppm) |
0.74 |
| Molecular formula |
C23H24O4S |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
397.1 |
| Product ions(Q3) |
353.1 |
| Main fragments |
353.1, 311.1, 199.3, 177.2 |
| Compound |
Kadethrin |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:39392 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1605066;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
58769-20-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
kadethrin;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C23H24O4S;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(5-benzylfuran-3-yl)methyl (1S,3R)-2,2-dimethyl-3-[(E)-(2-oxodihydrothiophen-3(2H)-ylidene)methyl]cyclopropanecarboxylate;; |
| InChI |
InChI=1S/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3/b17-12+/t19-,20-/m1/s1;; |
| InChIKey |
UGWALRUNBSBTGI-QJLCOAGJSA-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 |
|
| Last Modified |
11 Jan 2008;; |
| Mass |
396.50026;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
26675721;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CC1(C)[C@@H]([C@@H]1C(=O)OCc1coc(Cc2ccccc2)c1)\C=C1/CCSC1=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
RU 15525;;1R,cis-RU 15525;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
