Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010572
PROPERTIES
| NPAID | NPA010572 |
|---|---|
| CLUSTER ID | 1676 |
| NODE ID | 1370 |
| NAME | GE2270 D1 |
| FORMULA | C53H49N15O9S6 |
| MOLECULAR WEIGHT (Da) | 1232.4730 |
| ACCURATE MASS (Da) | 1231.2162 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Planobispora |
| ORIGIN SPECIES | rosea |
| InChIKey | LJXRVDJXWYMJFF-UHFFFAOYSA-N |
| InChI | InChI=1S/C53H49N15O9S6/c1-22(2)37-51-62-30(18-81-51)43(73)56-15-36(70)65-40(41(71)24-8-5-4-6-9-24)52-64-33(21-82-52)49-60-29(17-79-49)39-25(47-61-31(19-78-47)44(74)58-27(14-35(54)69)50-67-38(23(3)83-50)45(75)66-37)11-12-26(57-39)48-63-32(20-80-48)46-59-28(16-77-46)53(76)68-13-7-10-34(68)42(55)72/h4-6,8-9,11-12,17-22,27-28,34,37,40-41,71H,7,10,13-16H2,1-3H3,(H2,54,69)(H2,55,72)(H,56,73)(H,58,74)(H,65,70)(H,66,75) |
| 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)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 |
