Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001204
PROPERTIES
| NPAID | NPA001204 |
|---|---|
| CLUSTER ID | 193 |
| NODE ID | 181 |
| NAME | (+)-isomalbrancheamide C |
| FORMULA | C21H24BrN3O |
| MOLECULAR WEIGHT (Da) | 414.3470 |
| ACCURATE MASS (Da) | 413.1103 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Malbranchea |
| ORIGIN SPECIES | graminicola |
| InChIKey | NPJZWUULBVDKRA-DQLDELGASA-N |
| InChI | InChI=1S/C21H24BrN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-8-12(22)4-5-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 |
| SMILES | CC1([C@@H]2C[C@]34CCCN3C[C@@]2(CC5=C1NC6=C5C=C(C=C6)Br)NC4=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Watts, Katharine R.; Loveridge, Steven T.; Tenney, Karen; Media, Joseph; Valeriote, Frederick A.; Crews, Phillip Utilizing DART mass spectrometry to pinpoint halogenated metabolites from a marine invertebrate-derived fungus Journal of Organic Chemistry 2011 76 (15) 6201-6208. | ||
|---|---|---|---|
| DOI | 10.1021/jo2009593 | PMID | 21682275 |
