Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007647
PROPERTIES
| NPAID | NPA007647 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE2270 C1 |
| FORMULA | C54H51N15O9S6 |
| MOLECULAR WEIGHT (Da) | 1246.5000 |
| ACCURATE MASS (Da) | 1245.2318 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | OXJLNUWTKYJDKK-UHFFFAOYSA-N |
| InChI | InChI=1S/C54H51N15O9S6/c1-23(2)38-52-63-31(19-82-52)44(74)57-16-37(71)66-41(42(72)25-9-6-5-7-10-25)53-65-34(22-83-53)50-61-30(18-80-50)40-26(48-62-32(20-79-48)45(75)59-28(15-36(70)56-4)51-68-39(24(3)84-51)46(76)67-38)12-13-27(58-40)49-64-33(21-81-49)47-60-29(17-78-47)54(77)69-14-8-11-35(69)43(55)73/h5-7,9-10,12-13,18-23,28-29,35,38,41-42,72H,8,11,14-17H2,1-4H3,(H2,55,73)(H,56,70)(H,57,74)(H,59,75)(H,66,71)(H,67,76) |
| SMILES | CC1=C2C(=O)NC(C3=NC(=CS3)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 |
