Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009975
PROPERTIES
| NPAID | NPA009975 |
|---|---|
| CLUSTER ID | 144 |
| NODE ID | 137 |
| NAME | Aspereline B |
| FORMULA | C44H78N10O11 |
| MOLECULAR WEIGHT (Da) | 923.1670 |
| ACCURATE MASS (Da) | 922.5852 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | asperellum |
| InChIKey | MORKULGKMOXVCQ-QXUMGSNFSA-N |
| InChI | InChI=1S/C44H78N10O11/c1-18-24(4)30(48-37(63)41(10,11)51-33(59)29(23(2)3)47-36(62)40(8,9)49-31(57)25(5)45-27(7)56)34(60)52-43(14,15)38(64)53-42(12,13)35(61)46-26(6)32(58)50-44(16,17)39(65)54-21-19-20-28(54)22-55/h23-26,28-30,55H,18-22H2,1-17H3,(H,45,56)(H,46,61)(H,47,62)(H,48,63)(H,49,57)(H,50,58)(H,51,59)(H,52,60)(H,53,64)/t24-,25-,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@H](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 |
