Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032900
PROPERTIES
| NPAID | NPA032900 |
|---|---|
| CLUSTER ID | 9498 |
| NODE ID | 6356 |
| NAME | Endopyrrole B |
| FORMULA | C41H60N8O12 |
| MOLECULAR WEIGHT (Da) | 856.9750 |
| ACCURATE MASS (Da) | 856.4331 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | rhizoxinica |
| InChIKey | CXGWXLRCEXFRJA-LCCPBSOMSA-N |
| InChI | InChI=1S/C41H60N8O12/c1-20(2)30(45-36(55)29-11-9-17-49(29)40(59)32(22(5)6)47-34(53)26-10-8-16-42-26)37(56)46-31(21(3)4)38(57)48-33(23(7)51)39(58)44-28(19-50)35(54)43-27(41(60)61)18-24-12-14-25(52)15-13-24/h8,10,12-16,20-23,27-33,42,50-52H,9,11,17-19H2,1-7H3,(H,43,54)(H,44,58)(H,45,55)(H,46,56)(H,47,53)(H,48,57)(H,60,61)/t23-,27+,28-,29+,30+,31-,32+,33+/m1/s1 |
| SMILES | CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)C1=CC=C[NH]1)C(C)C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[C@@H](C)O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niehs, Sarah P.; Dose, Benjamin; Scherlach, Kirstin; Pidot, Sacha J.; Stinear, Timothy P.; Hertweck, Christian Genome Mining Reveals Endopyrroles from a Nonribosomal Peptide Assembly Line Triggered in Fungal-Bacterial Symbiosis ACS Chemical Biology 2019 14 (8) 1811-1818. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.9b00406 | PMID | 31283172 |
