Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014999
PROPERTIES
| NPAID | NPA014999 |
|---|---|
| CLUSTER ID | 414 |
| NODE ID | 373 |
| NAME | Demethoxyfumitremorgin C |
| FORMULA | C21H23N3O2 |
| MOLECULAR WEIGHT (Da) | 349.4340 |
| ACCURATE MASS (Da) | 349.1790 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus BM939 |
| InChIKey | LQXCSIKDOISJTI-BZSNNMDCSA-N |
| InChI | InChI=1S/C21H23N3O2/c1-12(2)10-17-19-14(13-6-3-4-7-15(13)22-19)11-18-20(25)23-9-5-8-16(23)21(26)24(17)18/h3-4,6-7,10,16-18,22H,5,8-9,11H2,1-2H3/t16-,17-,18-/m0/s1 |
| SMILES | CC(=C[C@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cui, Cheng-Bin; Kakeya, Hideaki; Osada, Hiroyuki Novel mammalian cell cycle inhibitors, tryprostatins A, B and other diketopiperazines produced by Aspergillus fumigatus: II. physico-chemical properties and structures Journal of Antibiotics 1996 49 (6) 534-540. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.534 | PMID | 8698635 |
