Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022604
PROPERTIES
| NPAID | NPA022604 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichodermide B |
| FORMULA | C58H102N12O13 |
| MOLECULAR WEIGHT (Da) | 1175.5250 |
| ACCURATE MASS (Da) | 1174.7689 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | virens CMB-TN16 |
| InChIKey | LXRKJCRDBCXEOB-QGSMRZEFSA-N |
| InChI | InChI=1S/C58H102N12O13/c1-18-34(9)44(50(78)61-39(29-32(5)6)47(75)67-57(14,15)54(82)69-26-20-22-40(69)48(76)60-37(30-71)28-31(3)4)65-49(77)41-23-21-27-70(41)55(83)58(16,17)68-52(80)43(33(7)8)63-51(79)45(35(10)19-2)64-46(74)38(24-25-42(59)73)62-53(81)56(12,13)66-36(11)72/h31-35,37-41,43-45,71H,18-30H2,1-17H3,(H2,59,73)(H,60,76)(H,61,78)(H,62,81)(H,63,79)(H,64,74)(H,65,77)(H,66,72)(H,67,75)(H,68,80)/t34-,35-,37-,38-,39-,40-,41-,43-,44-,45-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)CO)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCC(=O)N)NC(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jiao, Wei-Hua; Khalil, Zeinab; Dewapriya, Pradeep; Salim, Angela A.; Lin, Hou-Wen; Capon, Robert J. Trichodermides A-E: New Peptaibols Isolated from the Australian Termite Nest-Derived Fungus Trichoderma virens CMB-TN16 Journal of Natural Products 2018 81 (4) 976-984. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b01072 | PMID | 29528227 |
