Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA008717
PROPERTIES
NPAID | NPA008717 |
---|---|
CLUSTER ID | 2680 |
NODE ID | 2081 |
NAME | Kutzneride 8 |
FORMULA | C37H48Cl3N7O12 |
MOLECULAR WEIGHT (Da) | 889.1870 |
ACCURATE MASS (Da) | 887.2427 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kutzneria |
ORIGIN SPECIES | sp. 744 |
InChIKey | GOUIVYIRLLTNCF-RMDRTFJASA-N |
InChI | InChI=1S/C37H48Cl3N7O12/c1-35(2,3)27-32(55)47-19(10-15(38)13-41-47)29(52)42-18(14-58-5)28(51)43-25(21(48)11-22(49)50)31(54)46-20(30(53)45-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(39)23(40)24(16)44-34(37)46/h6-7,15,18-21,25-27,34,41,44,48,57H,8-14H2,1-5H3,(H,42,52)(H,43,51)(H,45,53)(H,49,50)/t15?,18-,19-,20-,21+,25+,26-,27+,34-,37+/m0/s1 |
SMILES | CC1(CC1)[C@@H]2C(=O)O[C@H](C(=O)N3[C@@H](CC(CN3)Cl)C(=O)N[C@H](C(=O)N[C@@H](C(=O)N4[C@@H](C[C@@]5([C@H]4NC6=C5C=CC(=C6Cl)Cl)O)C(=O)N2)[C@@H](CC(=O)O)O)COC)C(C)(C)C |
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 |