Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000427299 | Gold | Microsclerodermin&M |
COMPOUND NPA008944
PROPERTIES
| NPAID | NPA008944 |
|---|---|
| CLUSTER ID | 3774 |
| NODE ID | 2834 |
| NAME | Microsclerodermin M |
| FORMULA | C44H54N8O12 |
| MOLECULAR WEIGHT (Da) | 886.9600 |
| ACCURATE MASS (Da) | 886.3861 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Sorangium |
| ORIGIN SPECIES | and |
| InChIKey | QHVAQCHLFYOGDB-UIXLQRKESA-N |
| InChI | InChI=1S/C44H54N8O12/c1-52-25-37(58)48-31(18-27-22-45-30-16-11-10-15-29(27)30)42(62)47-24-36(57)46-23-28(53)19-34(55)50-39(41(61)43(63)49-33-20-35(56)51-44(33,64)21-38(52)59)40(60)32(54)17-9-4-2-3-6-12-26-13-7-5-8-14-26/h2-16,22,28,31-33,39-41,45,53-54,60-61,64H,17-21,23-25H2,1H3,(H,46,57)(H,47,62)(H,48,58)(H,49,63)(H,50,55)(H,51,56)/t28-,31-,32+,33-,39-,40-,41+,44-/m1/s1 |
| SMILES | CN1CC(=O)N[C@@H](C(=O)NCC(=O)NC[C@@H](CC(=O)N[C@@H]([C@@H](C(=O)N[C@@H]2CC(=O)N[C@]2(CC1=O)O)O)[C@@H]([C@H](CC=CC=CC=CC3=CC=CC=C3)O)O)O)CC4=CNC5=CC=CC=C54 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hoffmann, Thomas; Müller, Stefan; Nadmid, Suvd; Garcia, Ronald; Müller, Rolf Microsclerodermins from Terrestrial Myxobacteria: An Intriguing Biosynthesis Likely Connected to a Sponge Symbiont Journal of the American Chemical Society 2013 135 (45) 16904-16911. | ||
|---|---|---|---|
| DOI | 10.1021/ja4054509 | PMID | 24124771 |
