Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021324
PROPERTIES
| NPAID | NPA021324 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | FCE 21424 |
| FORMULA | C38H43N3O15 |
| MOLECULAR WEIGHT (Da) | 781.7680 |
| ACCURATE MASS (Da) | 781.2694 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | peucetius var. caesius |
| InChIKey | VYVYRFZPGDQXLQ-RLZOOHAISA-N |
| InChI | InChI=1S/C38H43N3O15/c1-13(42)9-22-53-14(2)29(28-35(48)40-37(50)41-36(28)49)39-19-10-23(54-15(3)34(19)56-22)55-21-12-38(51,16(4)43)11-18-25(21)33(47)27-26(31(18)45)30(44)17-7-6-8-20(52-5)24(17)32(27)46/h6-8,13-15,19,21-23,28-29,34,39,42,45,47,51H,9-12H2,1-5H3,(H2,40,41,48,49,50)/t13-,14+,15+,19-,21+,22+,23+,29+,34+,38-/m0/s1 |
| SMILES | C[C@@H]1[C@@H]2[C@H](C[C@H](O1)O[C@@H]3C[C@@](CC4=C(C5=C(C(=C34)O)C(=O)C6=C(C5=O)C=CC=C6OC)O)(C(=O)C)O)N[C@H]([C@H](O[C@H](O2)C[C@H](C)O)C)C7C(=O)NC(=O)NC7=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cassinelli G; Arlandini E; Ballabio M; Bordoni T; Geroni C; Giuliani F; Grein A; Merli S; Rivola G NEW BIOSYNTHETIC ANTHRACYCLINES RELATED TO BARMINOMYCINS INCORPORATING BARBITURATES IN THEIR MOIETY Journal of Antibiotics 1990 43 (1) 19-28. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.19 | PMID | 2307627 |
