Compounds
ID | Spectrum Quality | Annotated Name |
---|
COMPOUND NPA005463
PROPERTIES
NPAID | NPA005463 |
---|---|
CLUSTER ID | 2680 |
NODE ID | 2081 |
NAME | Kutzneride 6 |
FORMULA | C37H47Cl2N7O13 |
MOLECULAR WEIGHT (Da) | 868.7250 |
ACCURATE MASS (Da) | 867.2609 |
ORIGIN ORGANISM TYPE | Bacterium |
ORIGIN GENUS | Kutzneria |
ORIGIN SPECIES | sp. 744 |
InChIKey | ZIRIUMCQSORLJA-RMDRTFJASA-N |
InChI | InChI=1S/C37H47Cl2N7O13/c1-35(2,3)27-32(55)46-19(10-15(47)13-40-46)29(52)41-18(14-58-5)28(51)42-25(21(48)11-22(49)50)31(54)45-20(30(53)44-26(33(56)59-27)36(4)8-9-36)12-37(57)16-6-7-17(38)23(39)24(16)43-34(37)45/h6-7,13,15,18-21,25-27,34,43,47-48,57H,8-12,14H2,1-5H3,(H,41,52)(H,42,51)(H,44,53)(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(C=N3)O)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 |