Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021141
PROPERTIES
| NPAID | NPA021141 |
|---|---|
| CLUSTER ID | 338 |
| NODE ID | 306 |
| NAME | Medermycin |
| FORMULA | C24H27NO8 |
| MOLECULAR WEIGHT (Da) | 457.4790 |
| ACCURATE MASS (Da) | 457.1737 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | tanashiensis K73 |
| InChIKey | SBANXHQIOLPSFL-HNWASVEASA-N |
| InChI | InChI=1S/C24H27NO8/c1-9-17-20(24-15(31-9)8-16(27)33-24)23(30)18-11(5-6-13(26)19(18)22(17)29)14-7-12(25(3)4)21(28)10(2)32-14/h5-6,9-10,12,14-15,21,24,26,28H,7-8H2,1-4H3/t9-,10-,12-,14-,15-,21-,24+/m1/s1 |
| SMILES | C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)C1=C(O)C=CC([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)=C1C2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Takano S; Hasuda K; Ito A; Koide Y; Ishii F A NEW ANTIBIOTIC, MEDERMYCIN Journal of Antibiotics 1976 29 (7) 765-768. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.29.765 | PMID | 956059 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C[C@@H]1[C@H]([C@@H](CC(O1)C2=C(C=C3C(=C2)C(=O)C4=C(C3=O)[C@@H]5[C@@H](CC(=O)O5)O[C@@H]4C)O)N(C)C)O | Takano S; Hasuda K; Ito A; Koide Y; Ishii F A NEW ANTIBIOTIC, MEDERMYCIN Journal of Antibiotics 1976 29 (7) 765-768. DOI: 10.7164/antibiotics.29.765 PMID: 956059 | ||
| 2 | C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)C1=C(O)C=CC([C@H]3C[C@@H](N(C)C)[C@H](O)[C@@H](C)O3)=C1C2=O | Léo, Pierre-Marc; Morin, Christophe; Philouze, Christian Structure revision of medermycin/lactoquinomycin a and of related C-8 glycosylated naphthoquinones. Organic Letters 2002 4 (16) 2711-4. DOI: 10.1021/ol026222e PMID: 12153216 | ||
