Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015577
PROPERTIES
| NPAID | NPA015577 |
|---|---|
| CLUSTER ID | 263 |
| NODE ID | 141 |
| NAME | Septocylindrin A |
| FORMULA | C94H155N23O25 |
| MOLECULAR WEIGHT (Da) | 2007.4100 |
| ACCURATE MASS (Da) | 2006.1564 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Septocylindrium |
| ORIGIN SPECIES | sp. LL-Z1518 |
| InChIKey | KYDAQHIPEIKSPP-WIPSJCMQSA-N |
| InChI | InChI=1S/C94H155N23O25/c1-49(2)45-60(74(130)111-94(24,25)86(142)116-42-29-33-61(116)75(131)106-67(50(3)4)77(133)114-92(20,21)84(140)115-91(18,19)82(138)105-58(37-40-66(123)124)72(128)104-57(35-38-63(95)120)71(127)101-56(47-97-41-44-118)46-55-31-27-26-28-32-55)102-65(122)48-98-79(135)87(10,11)113-78(134)68(51(5)6)107-83(139)90(16,17)110-73(129)59(36-39-64(96)121)103-69(125)52(7)99-80(136)88(12,13)109-70(126)53(8)100-81(137)89(14,15)112-76(132)62-34-30-43-117(62)85(141)93(22,23)108-54(9)119/h26-28,31-32,49-53,56-62,67-68,97,118H,29-30,33-48H2,1-25H3,(H2,95,120)(H2,96,121)(H,98,135)(H,99,136)(H,100,137)(H,101,127)(H,102,122)(H,103,125)(H,104,128)(H,105,138)(H,106,131)(H,107,139)(H,108,119)(H,109,126)(H,110,129)(H,111,130)(H,112,132)(H,113,134)(H,114,133)(H,115,140)(H,123,124)/t52-,53-,56?,57?,58-,59-,60-,61-,62+,67-,68-/m0/s1 |
| SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC2=CC=CC=C2)CNCCO)NC(=O)C(C)(C)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H]3CCCN3C(=O)C(C)(C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Summers, Mia Y.; Kong, Fangming; Feng, Xidong; Siegel, Marshall M.; Janso, Jeffrey E.; Graziani, Edmund I.; Carter, Guy T. Septocylindrins A and B: Peptaibols Produced by the Terrestrial Fungus Septocylindrium sp. LL-Z1518 Journal of Natural Products 2007 70 (3) 391-396. | ||
|---|---|---|---|
| DOI | 10.1021/np060571q | PMID | 17288478 |
