Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024451
PROPERTIES
| NPAID | NPA024451 |
|---|---|
| CLUSTER ID | 987 |
| NODE ID | 851 |
| NAME | Heptarhizin |
| FORMULA | C35H53N7O10 |
| MOLECULAR WEIGHT (Da) | 731.8480 |
| ACCURATE MASS (Da) | 731.3854 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Rhizopus |
| ORIGIN SPECIES | microsporus |
| InChIKey | HRNMZVVUGNGSBC-GZIXTQCFSA-N |
| InChI | InChI=1S/C35H53N7O10/c1-16(2)14-25(39-22(9)43)33(49)42-28-21(8)52-35(51)27(17(3)4)41-31(47)20(7)37-29(45)18(5)36-30(46)19(6)38-32(48)26(40-34(28)50)15-23-10-12-24(44)13-11-23/h10-13,16-21,25-28,44H,14-15H2,1-9H3,(H,36,46)(H,37,45)(H,38,48)(H,39,43)(H,40,50)(H,41,47)(H,42,49)/t18-,19+,20+,21+,25-,26+,27-,28-/m0/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)C(C)C)C)C)C)CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(C)C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Niehs, Sarah P.; Dose, Benjamin; Scherlach, Kirstin; Roth, Martin; Hertweck, Christian Genomics-Driven Discovery of a Symbiont-Specific Cyclopeptide from Bacteria Residing in the Rice Seedling Blight Fungus ChemBioChem 2018 19 (20) 2167-2172. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201800400 | PMID | 30113119 |
