Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009096
PROPERTIES
| NPAID | NPA009096 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichokindin-IIIb |
| FORMULA | C82H144N20O22 |
| MOLECULAR WEIGHT (Da) | 1762.1720 |
| ACCURATE MASS (Da) | 1761.0764 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | harzianum |
| InChIKey | UAKAFTJYXDYGLH-UHFFFAOYSA-N |
| InChI | InChI=1S/C82H144N20O22/c1-28-81(26,101-70(121)79(22,23)94-57(108)45(9)85-60(111)53(41-104)92-66(117)74(12,13)93-47(11)105)71(122)90-50(33-35-56(84)107)61(112)95-76(16,17)67(118)91-52(39-44(7)8)63(114)96-75(14,15)65(116)86-46(10)58(109)98-82(27,29-2)72(123)100-80(24,25)73(124)102-36-30-31-54(102)64(115)88-51(38-43(5)6)62(113)97-78(20,21)69(120)99-77(18,19)68(119)89-49(32-34-55(83)106)59(110)87-48(40-103)37-42(3)4/h42-46,48-54,103-104H,28-41H2,1-27H3,(H2,83,106)(H2,84,107)(H,85,111)(H,86,116)(H,87,110)(H,88,115)(H,89,119)(H,90,122)(H,91,118)(H,92,117)(H,93,105)(H,94,108)(H,95,112)(H,96,114)(H,97,113)(H,98,109)(H,99,120)(H,100,123)(H,101,121) |
| SMILES | CCC(C)(NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(CC)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(C)(C)NC(C)=O)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iida, A; Sanekata, M; Fujita, T; Tanaka, H; Enoki, A; Fuse, G; Kanai, M; Rudewicz, P J; Tachikawa, E Fungal metabolites. XVI. Structures of new peptaibols, trichokindins I-VII, from the fungus Trichoderma harzianum Chemical and Pharmaceutical Bulletin 1994 42 (5) 1070-1075. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.42.1070 | PMID | 8069958 |
