Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577558 | Gold | 3 |
COMPOUND NPA001821
PROPERTIES
| NPAID | NPA001821 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trikoningin-KA-V |
| FORMULA | C87H152N22O24 |
| MOLECULAR WEIGHT (Da) | 1890.3030 |
| ACCURATE MASS (Da) | 1889.1350 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | harzianum |
| InChIKey | ULADORNVGXTXBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C87H152N22O24/c1-27-46(9)62(71(124)95-52(32-35-58(89)114)66(119)94-51(31-34-57(88)113)65(118)93-50(41-110)38-43(3)4)101-77(130)83(17,18)106-73(126)61(45(7)8)99-70(123)56-30-29-37-109(56)80(133)87(25,26)105-69(122)54(39-44(5)6)97-67(120)55(42-111)98-75(128)84(19,20)107-79(132)86(23,24)108-78(131)85(21,22)104-68(121)53(33-36-59(90)115)96-72(125)63(47(10)28-2)100-76(129)82(15,16)103-64(117)48(11)92-60(116)40-91-74(127)81(13,14)102-49(12)112/h43-48,50-56,61-63,110-111H,27-42H2,1-26H3,(H2,88,113)(H2,89,114)(H2,90,115)(H,91,127)(H,92,116)(H,93,118)(H,94,119)(H,95,124)(H,96,125)(H,97,120)(H,98,128)(H,99,123)(H,100,129)(H,101,130)(H,102,112)(H,103,117)(H,104,121)(H,105,122)(H,106,126)(H,107,132)(H,108,131) |
| SMILES | CCC(C)C(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(C)=O)C(C)CC)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Auvin-Guette, Catherine; Rebuffat, Sylvie; Vuidepot, Isabelle; Massias, Marcel; Bodo, Bernard Structural elucidation of trikoningins KA and KB, peptaibols from Trichoderma koningii Journal of the Chemical Society, Perkin Transactions 1 1993 (2) 249-255. | ||
|---|---|---|---|
| DOI | 10.1039/p19930000249 | PMID | - |
