Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014214
PROPERTIES
| NPAID | NPA014214 |
|---|---|
| CLUSTER ID | 144 |
| NODE ID | 137 |
| NAME | Aspereline F |
| FORMULA | C46H82N10O11 |
| MOLECULAR WEIGHT (Da) | 951.2210 |
| ACCURATE MASS (Da) | 950.6165 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | asperellum |
| InChIKey | BAAJDOCUARFBOQ-BJBMLRQCSA-N |
| InChI | InChI=1S/C46H82N10O11/c1-19-26(6)32(50-39(65)43(11,12)53-35(61)31(25(4)5)48-34(60)30(24(2)3)49-38(64)42(9,10)51-28(8)58)36(62)54-45(15,16)40(66)55-44(13,14)37(63)47-27(7)33(59)52-46(17,18)41(67)56-22-20-21-29(56)23-57/h24-27,29-32,57H,19-23H2,1-18H3,(H,47,63)(H,48,60)(H,49,64)(H,50,65)(H,51,58)(H,52,59)(H,53,61)(H,54,62)(H,55,66)/t26-,27-,29-,30-,31-,32-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C)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@H](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 |
