Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013296
PROPERTIES
| NPAID | NPA013296 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE2270 B1 |
| FORMULA | C55H53N15O10S6 |
| MOLECULAR WEIGHT (Da) | 1276.5260 |
| ACCURATE MASS (Da) | 1275.2424 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | JMKLDKKRJNPACS-UHFFFAOYSA-N |
| InChI | InChI=1S/C55H53N15O10S6/c1-23(2)38-54-69-41(35(86-54)18-79-4)46(76)58-16-37(72)66-42(43(73)25-9-6-5-7-10-25)53-65-33(22-84-53)51-62-30(19-82-51)40-26(49-63-31(20-81-49)45(75)60-28(15-36(56)71)52-68-39(24(3)85-52)47(77)67-38)12-13-27(59-40)50-64-32(21-83-50)48-61-29(17-80-48)55(78)70-14-8-11-34(70)44(57)74/h5-7,9-10,12-13,19-23,28-29,34,38,42-43,73H,8,11,14-18H2,1-4H3,(H2,56,71)(H2,57,74)(H,58,76)(H,60,75)(H,66,72)(H,67,77) |
| 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)N)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 |
