Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022603
PROPERTIES
| NPAID | NPA022603 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichodermide A |
| FORMULA | C59H104N12O13 |
| MOLECULAR WEIGHT (Da) | 1189.5520 |
| ACCURATE MASS (Da) | 1188.7846 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | virens CMB-TN16 |
| InChIKey | WNHFGOLUCPRIBO-BYRIWZBNSA-N |
| InChI | InChI=1S/C59H104N12O13/c1-18-35(10)45(51(79)62-40(30-33(6)7)48(76)68-57(13,14)55(83)70-27-21-23-41(70)49(77)61-38(31-72)29-32(4)5)66-50(78)42-24-22-28-71(42)56(84)58(15,16)69-53(81)44(34(8)9)64-52(80)46(36(11)19-2)65-47(75)39(25-26-43(60)74)63-54(82)59(17,20-3)67-37(12)73/h32-36,38-42,44-46,72H,18-31H2,1-17H3,(H2,60,74)(H,61,77)(H,62,79)(H,63,82)(H,64,80)(H,65,75)(H,66,78)(H,67,73)(H,68,76)(H,69,81)/t35-,36-,38-,39-,40-,41-,42-,44-,45-,46-,59+/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)(CC)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 |
