Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016354
PROPERTIES
| NPAID | NPA016354 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Metachelin B |
| FORMULA | C47H78N6O22 |
| MOLECULAR WEIGHT (Da) | 1079.1610 |
| ACCURATE MASS (Da) | 1078.5169 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Metarhizium |
| ORIGIN SPECIES | robertsii |
| InChIKey | UWLUBHNPXQOLDE-VPWXGSKNSA-N |
| InChI | InChI=1S/C47H78N6O22/c1-26(12-18-71-45(67)31(50(4)5)11-8-17-53(70)36(58)23-28(3)14-20-73-47-42(64)40(62)38(60)33(25-55)75-47)21-34(56)51(68)15-6-9-29-43(65)49-30(44(66)48-29)10-7-16-52(69)35(57)22-27(2)13-19-72-46-41(63)39(61)37(59)32(24-54)74-46/h21-23,29-33,37-42,46-47,54-55,59-64,68-70H,6-20,24-25H2,1-5H3,(H,48,66)(H,49,65)/b26-21+,27-22+,28-23+/t29-,30-,31-,32+,33+,37+,38+,39-,40-,41-,42-,46+,47+/m0/s1 |
| SMILES | C/C(=C\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)[C@H](CCCN(C(=O)/C=C(\C)/CCO[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)N(C)C)O)O)/CCO[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Krasnoff, Stuart B.; Keresztes, Ivan; Donzelli, Bruno G. G.; Gibson, Donna M. Metachelins, Mannosylated and N-Oxidized Coprogen-Type Siderophores from Metarhizium robertsii Journal of Natural Products 2014 77 (7) 1685-1692. | ||
|---|---|---|---|
| DOI | 10.1021/np500300s | PMID | 24992511 |
