Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018749
PROPERTIES
| NPAID | NPA018749 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE 2270 T |
| FORMULA | C56H53N15O10S6 |
| MOLECULAR WEIGHT (Da) | 1288.5370 |
| ACCURATE MASS (Da) | 1287.2424 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | GIVOHZKWHVHHNJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C56H53N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,18,20-24,29,35,39,43-44,74H,9,12,15-17,19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78) |
| SMILES | CC1=C2C(=O)NC(C3=NC(=C(S3)COC)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(=CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C1=CC=CC=C1)O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Colombo, L.; Stella, S.; Selva, E. Contribution of mass spectrometry to the structural confirmation of components of the antibiotic GE2270 complex Rapid Communications in Mass Spectrometry 1995 9 (8) 717-722. | ||
|---|---|---|---|
| DOI | 10.1002/rcm.1290090817 | PMID | 7647369 |
