Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013703
PROPERTIES
| NPAID | NPA013703 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE2270 C2b |
| FORMULA | C55H53N15O10S6 |
| MOLECULAR WEIGHT (Da) | 1276.5260 |
| ACCURATE MASS (Da) | 1275.2424 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | SLDBAJVNQZKUKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C55H53N15O10S6/c1-24(2)39-54-69-41(36(86-54)18-79-4)47(77)58-16-38(72)67-42(43(73)25-9-6-5-7-10-25)53-66-34(23-85-53)52-62-30(19-82-52)40-26(49-63-31(20-81-49)45(75)60-28(15-37(71)57-3)51-64-32(21-83-51)46(76)68-39)12-13-27(59-40)50-65-33(22-84-50)48-61-29(17-80-48)55(78)70-14-8-11-35(70)44(56)74/h5-7,9-10,12-13,19-24,28-29,35,39,42-43,73H,8,11,14-18H2,1-4H3,(H2,56,74)(H,57,71)(H,58,77)(H,60,75)(H,67,72)(H,68,76) |
| SMILES | CC(C)C1C2=NC(=C(S2)COC)C(=O)NCC(=O)NC(C3=NC(=CS3)C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(CO7)C(=O)N8CCCC8C(=O)N)C9=NC(=CS9)C(=O)NC(C2=NC(=CS2)C(=O)N1)CC(=O)NC)C(C1=CC=CC=C1)O |
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 |
