Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000001552 | Gold | Hectochlorin |
| CCMSLIB00000001555 | Gold | 1!CCMSLIB00000001558 |
| CCMSLIB00000001553 | Gold | 1 |
| CCMSLIB00012109110 | Gold | 4 |
| CCMSLIB00009948907 | Gold | 4 |
COMPOUND NPA011115
PROPERTIES
| NPAID | NPA011115 |
|---|---|
| CLUSTER ID | 839 |
| NODE ID | 728 |
| NAME | Hectochlorin |
| FORMULA | C27H34Cl2N2O9S2 |
| MOLECULAR WEIGHT (Da) | 665.6140 |
| ACCURATE MASS (Da) | 664.1083 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lyngbya |
| ORIGIN SPECIES | majuscula 122998-BDD-1 |
| InChIKey | USXIYWCPCGVOKF-NOENWEJRSA-N |
| InChI | InChI=1S/C27H34Cl2N2O9S2/c1-13-17(9-8-10-27(7,28)29)38-23(34)15-11-42-21(30-15)19(37-14(2)32)26(5,6)40-24(35)16-12-41-20(31-16)18(25(3,4)36)39-22(13)33/h11-13,17-19,36H,8-10H2,1-7H3/t13-,17-,18+,19+/m0/s1 |
| SMILES | C[C@H]1[C@@H](OC(=O)C2=CSC(=N2)[C@H](C(OC(=O)C3=CSC(=N3)[C@@H](OC1=O)C(C)(C)O)(C)C)OC(=O)C)CCCC(C)(Cl)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Marquez, Brian L.; Watts, Karl Shawn; Yokochi, Alexandre; Roberts, Mary Ann; Verdier-Pinard, Pascal; Jimenez, Jorge I.; Hamel, Ernest; Scheuer, Paul J.; Gerwick, William H. Structure and absolute stereochemistry of hectochlorin, a potent stimulator of actin assembly Journal of Natural Products 2002 65 (6) 866-871. | ||
|---|---|---|---|
| DOI | 10.1021/np0106283 | PMID | 12088429 |
