Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478583 | Gold | 1 |
COMPOUND NPA001302
PROPERTIES
| NPAID | NPA001302 |
|---|---|
| CLUSTER ID | 868 |
| NODE ID | 751 |
| NAME | Myxochromide S1 |
| FORMULA | C38H54N6O8 |
| MOLECULAR WEIGHT (Da) | 722.8840 |
| ACCURATE MASS (Da) | 722.4003 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Stigmatella |
| ORIGIN SPECIES | aurantiaca DW4/3–1 |
| InChIKey | BHYCLFCOZPICKT-CNDSVILGSA-N |
| InChI | InChI=1S/C38H54N6O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(46)44(7)33-28(6)52-38(51)29(22-23-31(39)45)42-35(48)27(5)40-34(47)26(4)41-36(49)30(24-25(2)3)43-37(33)50/h8-21,25-30,33H,22-24H2,1-7H3,(H2,39,45)(H,40,47)(H,41,49)(H,42,48)(H,43,50)/b9-8+,11-10+,13-12+,15-14+,17-16+,19-18+,21-20+/t26-,27-,28+,29-,30-,33-/m0/s1 |
| SMILES | C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(=O)N(C)[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)C)C)CCC(=O)N)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wenzel, Silke C.; Kunze, Brigitte; Höfle, Gerhard; Silakowski, Barbara; Scharfe, Maren; Blöcker, Helmut; Müller, Rolf Structure and Biosynthesis of Myxochromides S1-3 in Stigmatella aurantiaca: Evidence for an Iterative Bacterial Type I Polyketide Synthase and for Module Skipping in Nonribosomal Peptide Biosynthesis ChemBioChem 2005 6 (2) 375-385. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.200400282 | PMID | 15651040 |
