Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008987
PROPERTIES
| NPAID | NPA008987 |
|---|---|
| CLUSTER ID | 3777 |
| NODE ID | 2835 |
| NAME | Anthramycin |
| FORMULA | C16H17N3O4 |
| MOLECULAR WEIGHT (Da) | 315.3290 |
| ACCURATE MASS (Da) | 315.1219 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp. |
| InChIKey | VGQOVCHZGQWAOI-HWKANZROSA-N |
| InChI | InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+ |
| SMILES | CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)O)/C=C/C(=O)N)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Leimgruber, W; Batcho, AD; Schenker, F The structure of anthramycin Journal of the American Chemical Society 1965 87 (24) 5793-5795. | ||
|---|---|---|---|
| DOI | 10.1021/ja00952a051 | PMID | 5845428 |
SYNTHESES
| CITATION 1 | Leimgruber W; Batcho AD; Czajkowski RC Total synthesis of anthramycin. Journal of the American Chemical Society 1968 90 (20) 5641-5643. DOI: 10.1021/ja01022a078 PMID: 5679171 | ||
|---|---|---|---|
