Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000537
PROPERTIES
| NPAID | NPA000537 |
|---|---|
| CLUSTER ID | 410 |
| NODE ID | 369 |
| NAME | Sorangicin A |
| FORMULA | C47H66O11 |
| MOLECULAR WEIGHT (Da) | 807.0340 |
| ACCURATE MASS (Da) | 806.4605 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | cellulosum |
| InChIKey | OTABDKFPJQZJRD-XKZALBOYSA-N |
| InChI | InChI=1S/C47H66O11/c1-30(17-14-15-23-44(50)51)27-31(2)47-40-26-25-34(54-47)18-10-6-5-7-11-19-35(48)46(53)43-28-36(49)32(3)37(56-43)21-16-22-38-33(4)41-29-42(55-38)39(57-41)20-12-8-9-13-24-45(52)58-40/h6,8-13,16,19-20,22,24-27,30,32-43,46-49,53H,5,7,14-15,17-18,21,23,28-29H2,1-4H3,(H,50,51)/b9-8-,10-6+,19-11+,20-12+,22-16+,24-13-,31-27+/t30?,32?,33-,34?,35?,36-,37?,38-,39+,40?,41+,42+,43+,46?,47?/m0/s1 |
| SMILES | C[C@@H]1[C@H]2C[C@@H]3[C@H](O2)/C=C/C=C\C=C/C(=O)OC4C=CC(C/C=C/CC/C=C/C(C([C@H]5C[C@@H](C(C(O5)C/C=C/[C@@H]1O3)C)O)O)O)OC4/C(=C/C(C)CCCCC(=O)O)/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jansen, Rolf; Wray, Victor; Irschik, Herbert; Reichenbach, Hans; Hofle, Gerhard ISOLATION AND SPECTROSCOPIC STRUCTURE ELUCIDATION OF SORANGICIN A, A NEW TYPE OF MACROLIDE-POLYETHER ANTIBIOTIC FROM GLIDING BACTERIA - XXX Tetrahedron Letters 1985 26 (49) 6031-6034. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)95117-7 | PMID | - |
