Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021406
PROPERTIES
| NPAID | NPA021406 |
|---|---|
| CLUSTER ID | 2283 |
| NODE ID | 1808 |
| NAME | Tetrocarcin E2 |
| FORMULA | C49H66N2O17 |
| MOLECULAR WEIGHT (Da) | 955.0640 |
| ACCURATE MASS (Da) | 954.4361 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | chalcea KY 11091 |
| InChIKey | CJWOJYUQTRKAKJ-RELWGNSHSA-N |
| InChI | InChI=1S/C49H66N2O17/c1-22-11-14-34(66-37-20-47(8,51(60)61)42(27(6)64-37)50-46(59)62-10)23(2)16-32-33(54)17-29(21-52)19-49(32)44(57)38(45(58)68-49)43(56)48(9)31(22)13-12-30-39(48)24(3)15-25(4)41(30)67-36-18-35(65-28(7)53)40(55)26(5)63-36/h11-14,16-17,21-22,24-27,30-37,39-42,54-56H,15,18-20H2,1-10H3,(H,50,59)/b14-11+,23-16?,43-38?/t22?,24-,25-,26-,27+,30-,31-,32+,33-,34-,35+,36-,37-,39+,40-,41-,42-,47-,48+,49?/m0/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C(/C=C/[C@@H](C(=C[C@@H]4[C@H](C=C(CC45C(=O)C(=C3O)C(=O)O5)C=O)O)C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)OC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tamaoki T; Kasai M; Shirahata K; Tomita F TETROCARCINS E1, E2, F AND F-1, NEW ANTIBIOTICS FERMENTATION, ISOLATION AND CHARACTERIZATION Journal of Antibiotics 1982 35 (8) 979-984. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.35.979 | PMID | 7142015 |
