Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019182
PROPERTIES
| NPAID | NPA019182 |
|---|---|
| CLUSTER ID | 144 |
| NODE ID | 137 |
| NAME | Aspereline A |
| FORMULA | C45H80N10O11 |
| MOLECULAR WEIGHT (Da) | 937.1940 |
| ACCURATE MASS (Da) | 936.6008 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | asperellum |
| InChIKey | TYDXSTUVLGPNBK-VGHYBOITSA-N |
| InChI | InChI=1S/C45H80N10O11/c1-19-25(4)30(48-35(62)40(7,8)51-32(59)29(24(2)3)47-36(63)42(11,12)53-37(64)43(13,14)49-27(6)57)33(60)52-44(15,16)38(65)54-41(9,10)34(61)46-26(5)31(58)50-45(17,18)39(66)55-22-20-21-28(55)23-56/h24-26,28-30,56H,19-23H2,1-18H3,(H,46,61)(H,47,63)(H,48,62)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)(H,54,65)/t25-,26-,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](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(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 |
