Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016782
PROPERTIES
| NPAID | NPA016782 |
|---|---|
| CLUSTER ID | 144 |
| NODE ID | 137 |
| NAME | Aspereline E |
| FORMULA | C45H80N10O12 |
| MOLECULAR WEIGHT (Da) | 953.1930 |
| ACCURATE MASS (Da) | 952.5957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | asperellum |
| InChIKey | RSDUGRUZONMYBE-BJNPORTCSA-N |
| InChI | InChI=1S/C45H80N10O12/c1-18-25(4)30(48-35(63)40(6,7)51-32(60)29(24(2)3)47-36(64)42(10,11)53-37(65)43(12,13)49-26(5)58)33(61)52-44(14,15)38(66)54-41(8,9)34(62)46-28(23-57)31(59)50-45(16,17)39(67)55-21-19-20-27(55)22-56/h24-25,27-30,56-57H,18-23H2,1-17H3,(H,46,62)(H,47,64)(H,48,63)(H,49,58)(H,50,59)(H,51,60)(H,52,61)(H,53,65)(H,54,66)/t25-,27-,28-,29-,30-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ren, Jinwei; Xue, Chunmei; Tian, Li; Xu, Minjuan; Chen, Jian; Deng, Zhiwei; Proksch, Peter; Lin, Wenhan Asperelines A-F, peptaibols from the marine-derived fungus Trichoderma asperellum Journal of Natural Products 2009 72 (6) 1036-1044. | ||
|---|---|---|---|
| DOI | 10.1021/np900190w | PMID | 19514743 |
