Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000137
PROPERTIES
| NPAID | NPA000137 |
|---|---|
| CLUSTER ID | 116 |
| NODE ID | 110 |
| NAME | VM-55599 |
| FORMULA | C25H35N3O |
| MOLECULAR WEIGHT (Da) | 393.5750 |
| ACCURATE MASS (Da) | 393.2780 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. strain, IMI 332995 |
| InChIKey | NESVIABHQZBIFX-IYHWZCMTSA-N |
| InChI | InChI=1S/C25H35N3O/c1-21(2)11-12-28-15-24-13-17-16-9-7-8-10-18(16)26-19(17)22(3,4)23(24,5)14-25(21,28)20(29)27(24)6/h7-10,17,19,26H,11-15H2,1-6H3/t17?,19?,23-,24-,25+/m1/s1 |
| SMILES | CN1C(=O)[C@]23C[C@]4(C)C(C)(C)C5NC6=CC=CC=C6C5C[C@]14CN2CCC3(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Blanchflower, S E; Banks, R M; Everett, J R; Reading, C Further novel metabolites of the paraherquamide family. Journal of Antibiotics 1993 46 (9) 1355-1363. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.1355 | PMID | 8226314 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1CCN2[C@]13C[C@@H]4[C@](C2)(CC5=C(C4(C)C)NC6=CC=CC=C56)NC3=O | Blanchflower, S E; Banks, R M; Everett, J R; Reading, C Further novel metabolites of the paraherquamide family. Journal of Antibiotics 1993 46 (9) 1355-1363. DOI: 10.7164/antibiotics.46.1355 PMID: 8226314 | ||
| 2 | CN1C(=O)[C@]23C[C@]4(C)C(C)(C)C5NC6=CC=CC=C6C5C[C@]14CN2CCC3(C)C | Sanz-Cervera, Juan F; Williams, Robert M Asymmetric total synthesis of (-)-VM55599: establishment of the absolute stereochemistry and biogenetic implications. Journal of the American Chemical Society 2002 124 (11) 2556-9. DOI: 10.1021/ja017425l PMID: 11890806 | ||
