Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020261
PROPERTIES
| NPAID | NPA020261 |
|---|---|
| CLUSTER ID | 6423 |
| NODE ID | 4441 |
| NAME | Trichorzianine A IIIC |
| FORMULA | C91H149N23O24 |
| MOLECULAR WEIGHT (Da) | 1949.3300 |
| ACCURATE MASS (Da) | 1948.1146 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | harzianum |
| InChIKey | YQCZBYHEPONFMB-UHFFFAOYSA-N |
| InChI | InChI=1S/C91H149N23O24/c1-26-47(6)65(74(129)100-56(34-37-62(93)119)69(124)99-55(33-36-61(92)118)68(123)98-52(43-115)41-51-42-95-54-31-28-27-30-53(51)54)105-79(134)85(12,13)110-75(130)64(46(4)5)104-73(128)60-32-29-39-114(60)83(138)91(24,25)109-72(127)58(40-45(2)3)101-70(125)59(44-116)103-78(133)87(16,17)112-82(137)90(22,23)113-81(136)89(20,21)108-71(126)57(35-38-63(94)120)102-77(132)86(14,15)111-80(135)88(18,19)107-67(122)49(8)96-66(121)48(7)97-76(131)84(10,11)106-50(9)117/h27-28,30-31,42,45-49,52,55-60,64-65,95,115-116H,26,29,32-41,43-44H2,1-25H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,96,121)(H,97,131)(H,98,123)(H,99,124)(H,100,129)(H,101,125)(H,102,132)(H,103,133)(H,104,128)(H,105,134)(H,106,117)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,135)(H,112,137)(H,113,136) |
| SMILES | CCC(C)C(C(=NC(CCC(=N)O)C(=NC(CCC(=N)O)C(=NC(CC1=CNC2=CC=CC=C21)CO)O)O)O)N=C(C(C)(C)N=C(C(C(C)C)N=C(C3CCCN3C(=O)C(C)(C)N=C(C(CC(C)C)N=C(C(CO)N=C(C(C)(C)N=C(C(C)(C)N=C(C(C)(C)N=C(C(CCC(=N)O)N=C(C(C)(C)N=C(C(C)(C)N=C(C(C)N=C(C(C)N=C(C(C)(C)N=C(C)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bodo, Bernard; Rebuffat, Sylvie; Hajji, Mohamed El; Davoust, Daniel Structure of Trichorzianine A IIIC, an Antifugal Peptide from Trichoderma harzianum Journal of the American Chemical Society 1985 107 (21) 6011-6017. | ||
|---|---|---|---|
| DOI | 10.1021/ja00307a028 | PMID | - |
