Molecule
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Brevianamide A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+
Brevianamide A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+
Brevianamide A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+
Brevianamide A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+
Brevianamide A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+
(1'R,2R,7'R,9'S)-10',10'-dimethylspiro[1H-indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione
Chemical Information
| InChI | InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1 |
|---|---|
| SMILES | CC1([C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@]15C(=O)C6=CC=CC=C6N5)NC4=O)C |
| InChI Key | MWOFPQAPILIIPR-DJJZHVJBSA-N |
| Exact Mass | 365.174 g/mol |
5 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol21136 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 29643938 | surechembl |
| 25163935 | pubchem |
| L2S5E3NBIH | fdasrs |
| YUJSUU | CCDC |
| DTXSID90891803 | comptox |
| The data in this table is sourced from UniChem at EBI. | |