Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012365
PROPERTIES
| NPAID | NPA012365 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichokindin-Ib |
| FORMULA | C81H142N20O22 |
| MOLECULAR WEIGHT (Da) | 1748.1450 |
| ACCURATE MASS (Da) | 1747.0608 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | harzianum |
| InChIKey | GXRXDVWUJGIFGY-UHFFFAOYSA-N |
| InChI | InChI=1S/C81H142N20O22/c1-28-43(7)51(39-102)87-58(109)47(32-34-54(82)105)88-67(118)76(17,18)98-68(119)78(21,22)97-61(112)49(37-41(3)4)86-63(114)53-31-30-36-101(53)72(123)80(25,26)99-69(120)77(19,20)94-57(108)45(9)85-64(115)74(13,14)96-62(113)50(38-42(5)6)90-66(117)75(15,16)95-60(111)48(33-35-55(83)106)89-71(122)81(27,29-2)100-70(121)79(23,24)93-56(107)44(8)84-59(110)52(40-103)91-65(116)73(11,12)92-46(10)104/h41-45,47-53,102-103H,28-40H2,1-27H3,(H2,82,105)(H2,83,106)(H,84,110)(H,85,115)(H,86,114)(H,87,109)(H,88,118)(H,89,122)(H,90,117)(H,91,116)(H,92,104)(H,93,107)(H,94,108)(H,95,111)(H,96,113)(H,97,112)(H,98,119)(H,99,120)(H,100,121) |
| SMILES | CCC(C)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(C)(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 |
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 |
