Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001660 | Gold | Microcolin&C |
| CCMSLIB00005435658 | Bronze | microcolin&C&(desacetylmicrocolin&B) |
COMPOUND NPA011193
PROPERTIES
| NPAID | NPA011193 |
|---|---|
| CLUSTER ID | 1123 |
| NODE ID | 960 |
| NAME | Desacetylmicrocolin B |
| FORMULA | C37H63N5O7 |
| MOLECULAR WEIGHT (Da) | 689.9390 |
| ACCURATE MASS (Da) | 689.4727 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | cf. polychroa |
| InChIKey | LMOADMWPBSXHHB-CRVYFHMBSA-N |
| InChI | InChI=1S/C37H63N5O7/c1-12-13-15-24(6)21-25(7)34(46)39(10)29(20-22(2)3)33(45)38-31(27(9)43)36(48)40(11)32(23(4)5)37(49)41-19-14-16-28(41)35(47)42-26(8)17-18-30(42)44/h17-18,22-29,31-32,43H,12-16,19-21H2,1-11H3,(H,38,45)/t24-,25-,26+,27-,28+,29+,31+,32+/m1/s1 |
| SMILES | CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2[C@H](C=CC2=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Meickle, Theresa; Matthew, Susan; Ross, Cliff; Luesch, Hendrik; Paul, Valerie Bioassay-guided isolation and identification of desacetylmicrocolin B from Lyngbya cf. polychroa Planta Medica 2009 75 (13) 1427-1430. | ||
|---|---|---|---|
| DOI | 10.1055/s-0029-1185675 | PMID | 19431099 |
