Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032899
PROPERTIES
| NPAID | NPA032899 |
|---|---|
| CLUSTER ID | 9498 |
| NODE ID | 6356 |
| NAME | Endopyrrole A |
| FORMULA | C50H67N9O13 |
| MOLECULAR WEIGHT (Da) | 1002.1360 |
| ACCURATE MASS (Da) | 1001.4858 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | rhizoxinica |
| InChIKey | KRMWEQCPKUMYBI-DKKFUSLWSA-N |
| InChI | InChI=1S/C50H67N9O13/c1-25(2)38(55-45(66)37-11-9-21-59(37)49(70)40(27(5)6)57-42(63)33-10-8-20-51-33)46(67)56-39(26(3)4)47(68)58-41-28(7)72-50(71)35(23-30-14-18-32(62)19-15-30)53-43(64)34(22-29-12-16-31(61)17-13-29)52-44(65)36(24-60)54-48(41)69/h8,10,12-20,25-28,34-41,51,60-62H,9,11,21-24H2,1-7H3,(H,52,65)(H,53,64)(H,54,69)(H,55,66)(H,56,67)(H,57,63)(H,58,68)/t28-,34+,35+,36-,37+,38+,39-,40+,41+/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]1C(=O)N[C@H](CO)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)O[C@@H]1C)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 |
