Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015136
PROPERTIES
| NPAID | NPA015136 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE 2270 C2a |
| FORMULA | C56H55N15O11S6 |
| MOLECULAR WEIGHT (Da) | 1306.5520 |
| ACCURATE MASS (Da) | 1305.2530 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | IIQOXAKYPRUUNK-UHFFFAOYSA-N |
| InChI | InChI=1S/C56H55N15O11S6/c1-24(2)39-55-70-42(36(88-55)19-81-4)47(78)59-16-38(74)67-43(44(75)25-9-6-5-7-10-25)54-66-33(23-86-54)52-63-30(20-84-52)40-26(50-64-31(21-83-50)46(77)61-28(15-37(73)58-3)53-69-41(48(79)68-39)35(17-72)87-53)12-13-27(60-40)51-65-32(22-85-51)49-62-29(18-82-49)56(80)71-14-8-11-34(71)45(57)76/h5-7,9-10,12-13,20-24,28-29,34,39,43-44,72,75H,8,11,14-19H2,1-4H3,(H2,57,76)(H,58,73)(H,59,78)(H,61,77)(H,67,74)(H,68,79) |
| 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(=C(S2)CO)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 |
