Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016080
PROPERTIES
| NPAID | NPA016080 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE2270 B2 |
| FORMULA | C55H53N15O9S6 |
| MOLECULAR WEIGHT (Da) | 1260.5270 |
| ACCURATE MASS (Da) | 1259.2475 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | UHWVQMFJEVJYGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C55H53N15O9S6/c1-23(2)38-54-69-39(24(3)85-54)46(76)58-17-37(72)66-42(43(73)26-10-7-6-8-11-26)53-65-34(22-83-53)51-62-31(19-81-51)41-27(49-63-32(20-80-49)45(75)60-29(16-36(71)57-5)52-68-40(25(4)84-52)47(77)67-38)13-14-28(59-41)50-64-33(21-82-50)48-61-30(18-79-48)55(78)70-15-9-12-35(70)44(56)74/h6-8,10-11,13-14,19-23,29-30,35,38,42-43,73H,9,12,15-18H2,1-5H3,(H2,56,74)(H,57,71)(H,58,76)(H,60,75)(H,66,72)(H,67,77) |
| SMILES | CC1=C2C(=O)NC(C3=NC(=C(S3)C)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 |
