Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012968
PROPERTIES
| NPAID | NPA012968 |
|---|---|
| CLUSTER ID | 4806 |
| NODE ID | 3476 |
| NAME | (-)-spiromalbramide |
| FORMULA | C21H23Cl2N3O2 |
| MOLECULAR WEIGHT (Da) | 420.3400 |
| ACCURATE MASS (Da) | 419.1167 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Malbranchea |
| ORIGIN SPECIES | graminicola |
| InChIKey | GOAWOFRXKDBTDF-PSMQTCRGSA-N |
| InChI | InChI=1S/C21H23Cl2N3O2/c1-18(2)15-8-20-4-3-5-26(20)10-19(15,25-16(20)27)9-21(18)11-6-12(22)13(23)7-14(11)24-17(21)28/h6-7,15H,3-5,8-10H2,1-2H3,(H,24,28)(H,25,27)/t15-,19+,20-,21+/m0/s1 |
| SMILES | CC1([C@@H]2C[C@]34CCCN3C[C@@]2(C[C@]15C6=CC(=C(C=C6NC5=O)Cl)Cl)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 |
