Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008169
PROPERTIES
| NPAID | NPA008169 |
|---|---|
| CLUSTER ID | 647 |
| NODE ID | 574 |
| NAME | Rebeccamycin |
| FORMULA | C27H21Cl2N3O7 |
| MOLECULAR WEIGHT (Da) | 570.3850 |
| ACCURATE MASS (Da) | 569.0757 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | aerocoligenes |
| InChIKey | QEHOIJJIZXRMAN-QZQSLCQPSA-N |
| InChI | InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1 |
| SMILES | CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nettleton, D. E.; Doyle, T. W.; Krishnan, B.; Matsumoto, G. K.; Clardy, J. ISOLATION AND STRUCTURE OF REBECCAMYCIN - A NEW ANTITUMOR ANTIBIOTIC FROM NOCARDIA AEROCOLIGENES Tetrahedron Letters 1985 26 (34) 4011-4014. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)89280-1 | PMID | - |
