Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021427
PROPERTIES
| NPAID | NPA021427 |
|---|---|
| CLUSTER ID | 2283 |
| NODE ID | 1808 |
| NAME | Tetrocarcin B |
| FORMULA | C61H86N2O22 |
| MOLECULAR WEIGHT (Da) | 1199.3510 |
| ACCURATE MASS (Da) | 1198.5672 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | chalcea YK1109 |
| InChIKey | VTKZSPDLXGUJCG-COUSUYLLSA-N |
| InChI | InChI=1S/C61H86N2O22/c1-27-13-16-43(82-48-24-59(10,63(73)74)54(34(8)79-48)62-58(72)75-12)28(2)18-40-41(66)19-36(25-64)23-61(40)56(70)49(57(71)85-61)55(69)60(11)39(27)15-14-38-50(60)29(3)17-30(4)52(38)84-47-22-45(53(33(7)78-47)80-35(9)65)81-37-20-44(31(5)76-26-37)83-46-21-42(67)51(68)32(6)77-46/h13-15,18-19,25,29-34,37-48,50-54,66-69H,16-17,20-24,26H2,1-12H3,(H,62,72)/b27-13-,28-18?,55-49?/t29-,30-,31?,32?,33-,34+,37?,38-,39-,40+,41-,42?,43-,44?,45+,46?,47-,48-,50+,51?,52?,53-,54-,59-,60+,61?/m0/s1 |
| SMILES | C[C@H]1C[C@@H](C([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)OC(=O)C)OC8CC(C(OC8)C)OC9CC(C(C(O9)C)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tomita F; Tamaoki T; Shirahata K; Kasai M; Morimoto M; Ohkubo S; Mineura K; Ishii S NOVEL ANTITUMOR ANTIBIOTICS, TETROCARCINS Journal of Antibiotics 1980 33 (6) 668-670. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.33.668 | PMID | 6893447 |
