Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004048
PROPERTIES
| NPAID | NPA004048 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Trichokonin-IX |
| FORMULA | C92H153N23O24 |
| MOLECULAR WEIGHT (Da) | 1965.3730 |
| ACCURATE MASS (Da) | 1964.1459 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | koningii |
| InChIKey | HPOJZMVSPXDYJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C92H153N23O24/c1-28-92(27,82(138)103-56(37-40-61(94)119)69(125)101-55(36-39-60(93)118)68(124)99-54(46-116)44-53-33-30-29-31-34-53)114-81(137)90(23,24)112-73(129)64(48(4)5)104-72(128)59-35-32-42-115(59)83(139)91(25,26)110-71(127)58(43-47(2)3)100-63(121)45-96-75(131)84(11,12)111-74(130)65(49(6)7)105-79(135)87(17,18)109-70(126)57(38-41-62(95)120)102-78(134)88(19,20)113-80(136)89(21,22)108-67(123)51(9)98-77(133)86(15,16)107-66(122)50(8)97-76(132)85(13,14)106-52(10)117/h29-31,33-34,47-51,54-59,64-65,116H,28,32,35-46H2,1-27H3,(H2,93,118)(H2,94,119)(H2,95,120)(H,96,131)(H,97,132)(H,98,133)(H,99,124)(H,100,121)(H,101,125)(H,102,134)(H,103,138)(H,104,128)(H,105,135)(H,106,117)(H,107,122)(H,108,123)(H,109,126)(H,110,127)(H,111,130)(H,112,129)(H,113,136)(H,114,137) |
| SMILES | CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC1=CC=CC=C1)CO)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(C(C)C)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | HUANG, Qing; TEZUKA, Yasuhiro; HATANAKA, Yasumaru; KIKUCHI, Tohru; NISHI, Arasuke; TUBAKI, Keisuke Studies on Metabolites of Mycoparasitic Fungi. IV. Minor Peptaibols of Trichoderma koningii Chemical and Pharmaceutical Bulletin 1995 43 (10) 1663-1667. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.43.1663 | PMID | 8536339 |
