Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000223877 | Gold | Rosamicin |
COMPOUND NPA004259
PROPERTIES
| NPAID | NPA004259 |
|---|---|
| CLUSTER ID | 629 |
| NODE ID | 559 |
| NAME | Rosamicin |
| FORMULA | C31H51NO9 |
| MOLECULAR WEIGHT (Da) | 581.7470 |
| ACCURATE MASS (Da) | 581.3564 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Micromonospora |
| ORIGIN SPECIES | rosaria |
| InChIKey | IUPCWCLVECYZRV-JZMZINANSA-N |
| InChI | InChI=1S/C31H51NO9/c1-9-25-20(5)29-31(6,41-29)12-10-23(34)17(2)14-21(11-13-33)28(19(4)24(35)16-26(36)39-25)40-30-27(37)22(32(7)8)15-18(3)38-30/h10,12-13,17-22,24-25,27-30,35,37H,9,11,14-16H2,1-8H3/b12-10+/t17-,18-,19+,20-,21+,22+,24-,25-,27-,28-,29+,30+,31+/m1/s1 |
| SMILES | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Reimann, H.; Jaret, R. S. Structure of Rosamicin, a New Macrolide from Micromonospora rosaria Chemical Communications 1972 1270. | ||
|---|---|---|---|
| DOI | 10.1039/C3972001270A | PMID | - |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCC1OC(=O)CC(O)C(C)C(O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)C(CC=O)CC(C)C(=O)/C=C/C2(C)OC2C1C | Reimann, H.; Jaret, R. S. Structure of Rosamicin, a New Macrolide from Micromonospora rosaria Chemical Communications 1972 1270. DOI: 10.1039/C3972001270A | ||
| 2 | CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C | Puar, M S; Schumacher, D; Mollitor, T; Rosenkrantz, B; Jaret, R S; McPhail, A T Solid state thermal degradation products of rosaramicin Journal of Antibiotics 1992 45 (9) 1540-1543. DOI: 10.7164/antibiotics.45.1540 PMID: 1429241 | ||
