Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016002
PROPERTIES
| NPAID | NPA016002 |
|---|---|
| CLUSTER ID | 144 |
| NODE ID | 137 |
| NAME | Aspereline D |
| FORMULA | C44H78N10O11 |
| MOLECULAR WEIGHT (Da) | 923.1670 |
| ACCURATE MASS (Da) | 922.5852 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | asperellum |
| InChIKey | ZNXWJXMRXSYRMW-AMEOFWRWSA-N |
| InChI | InChI=1S/C44H78N10O11/c1-23(2)28(47-35(62)41(11,12)52-36(63)42(13,14)48-26(6)56)31(58)50-39(7,8)34(61)46-29(24(3)4)32(59)51-43(15,16)37(64)53-40(9,10)33(60)45-25(5)30(57)49-44(17,18)38(65)54-21-19-20-27(54)22-55/h23-25,27-29,55H,19-22H2,1-18H3,(H,45,60)(H,46,61)(H,47,62)(H,48,56)(H,49,57)(H,50,58)(H,51,59)(H,52,63)(H,53,64)/t25-,27-,28-,29-/m0/s1 |
| SMILES | C[C@@H](C(=O)NC(C)(C)C(=O)N1CCC[C@H]1CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](C(C)C)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 |
