Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA016383
PROPERTIES
NPAID | NPA016383 |
---|---|
CLUSTER ID | 2680 |
NODE ID | 2081 |
NAME | Kutzneride 7 |
FORMULA | C36H47Cl2N7O12 |
MOLECULAR WEIGHT (Da) | 840.7150 |
ACCURATE MASS (Da) | 839.2660 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kutzneria |
ORIGIN SPECIES | sp. 744 |
InChIKey | NIODADNQNLLDEA-PSLRZACRSA-N |
InChI | InChI=1S/C36H47Cl2N7O12/c1-15(2)26-32(53)45-19(6-5-11-39-45)29(50)40-18(14-56-4)28(49)41-25(21(46)12-22(47)48)31(52)44-20(30(51)43-27(33(54)57-26)35(3)9-10-35)13-36(55)16-7-8-17(37)23(38)24(16)42-34(36)44/h7-8,15,18-21,25-27,34,39,42,46,55H,5-6,9-14H2,1-4H3,(H,40,50)(H,41,49)(H,43,51)(H,47,48)/t18-,19-,20-,21-,25+,26-,27-,34-,36+/m0/s1 |
SMILES | CC(C)[C@H]1C(=O)N2[C@@H](CCCN2)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N3[C@@H](C[C@@]4([C@H]3NC5=C4C=CC(=C5Cl)Cl)O)C(=O)N[C@@H](C(=O)O1)C6(CC6)C)[C@H](CC(=O)O)O)COC |
ORIGINAL ISOLATION REFERENCE
CITATION | Pohanka, Anton; Menkis, Audrius; Levenfors, Jolanta; Broberg, Anders Low-abundance kutznerides from Kutzneria sp. 744 Journal of Natural Products 2006 69 (12) 1776-1781. | ||
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DOI | 10.1021/np0604331 | PMID | 17190458 |