Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001905
PROPERTIES
| NPAID | NPA001905 |
|---|---|
| CLUSTER ID | 1196 |
| NODE ID | 1016 |
| NAME | TMC-66 |
| FORMULA | C29H21NO9 |
| MOLECULAR WEIGHT (Da) | 527.4850 |
| ACCURATE MASS (Da) | 527.1216 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. A5008 |
| InChIKey | IBUAONLWVYWMIS-HYDGNGQDSA-N |
| InChI | InChI=1S/C29H21NO9/c1-29-9-13-7-11-5-6-12-8-15-22(23(32)14-3-2-4-17(31)21(14)24(15)33)26(35)19(12)18(11)25(34)20(13)27(36)30(29)16(10-39-29)28(37)38/h2-4,7-8,16,31,34-35H,5-6,9-10H2,1H3,(H,37,38)/t16-,29-/m1/s1 |
| SMILES | C[C@@]12CC3=C(C(=C4C(=C3)CCC5=C4C(=C6C(=C5)C(=O)C7=C(C6=O)C=CC=C7O)O)O)C(=O)N1[C@H](CO2)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Asai, Yasuyuki; Nonaka, Nobuaki; Suzuki, Shin-Ichi; Nishio, Maki; Takahashi, Kohei; Shima, Hideaki; Ohmori, Kenji; Ohnuki, Tetsuo; Komatsubara, Saburo TMC-66, a new endothelin converting enzyme inhibitor produced by Streptomyces sp. A5008 Journal of Antibiotics 1999 52 (7) 607-612. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.607 | PMID | 10513839 |
