Compounds
ID | Spectrum Quality | Annotated Name |
---|---|---|
CCMSLIB00000839208 | Gold | 3 |
COMPOUND NPA015120
PROPERTIES
NPAID | NPA015120 |
---|---|
CLUSTER ID | 4322 |
NODE ID | 3184 |
NAME | Piperazimycin B |
FORMULA | C31H47ClN8O9 |
MOLECULAR WEIGHT (Da) | 711.2170 |
ACCURATE MASS (Da) | 710.3155 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Streptomyces |
ORIGIN SPECIES | sp. |
InChIKey | JQWUSEVRGIXWTP-HOEXFSFOSA-N |
InChI | InChI=1S/C31H47ClN8O9/c1-18(2)8-5-4-6-9-21-28(46)40-24(12-19(32)14-34-40)29(47)39-22(10-7-11-33-39)27(45)37-31(3,17-41)30(48)49-16-25(43)38-23(26(44)36-21)13-20(42)15-35-38/h4-6,8,18-24,33-35,41-42H,7,9-17H2,1-3H3,(H,36,44)(H,37,45)/b6-4+,8-5+/t19-,20+,21-,22-,23+,24+,31-/m0/s1 |
SMILES | CC(C)/C=C/C=C/C[C@H]1C(=O)N2[C@H](C[C@@H](CN2)Cl)C(=O)N3[C@@H](CCCN3)C(=O)N[C@@](C(=O)OCC(=O)N4[C@H](C[C@H](CN4)O)C(=O)N1)(C)CO |
ORIGINAL ISOLATION REFERENCE
CITATION | Miller, Eric D.; Kauffman, Christopher A.; Jensen, Paul R.; Fenical, William Piperazimycins: Cytotoxic hexadepsipeptides from a marine-derived bacterium of the genus streptomyces Journal of Organic Chemistry 2007 72 (2) 323-330. | ||
---|---|---|---|
DOI | 10.1021/jo061064g | PMID | 17221946 |