Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004700
PROPERTIES
| NPAID | NPA004700 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin E |
| FORMULA | C69H115N13O14 |
| MOLECULAR WEIGHT (Da) | 1350.7560 |
| ACCURATE MASS (Da) | 1349.8686 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | IZJJAEGPQRDFCN-XONRSFHXSA-N |
| InChI | InChI=1S/C69H115N13O14/c1-26-41(12)51-61(89)78(22)54(40(10)11)65(93)79(23)53(39(8)9)62(90)74(18)35-48(84)76(20)57(68(15,16)95)66(94)81(25)56(43(14)28-3)63(91)73(17)34-47(83)71-50(37(4)5)60(88)80(24)55(42(13)27-2)64(92)75(19)36-49(85)82-46(59(87)77(21)52(38(6)7)58(86)72-51)33-69(96)44-31-29-30-32-45(44)70-67(69)82/h29-32,37-43,46,50-57,67,70,95-96H,26-28,33-36H2,1-25H3,(H,71,83)(H,72,86)/t41?,42-,43-,46-,50-,51-,52-,53-,54-,55-,56-,57+,67-,69+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N(CC(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)O)C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N1C)C(C)C)C)[C@@H](C)CC)C)C(C)(C)O)C)C)C(C)C)C)C(C)C)C)C(C)CC)C(C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liermann, Johannes C.; Opatz, Till; Kolshorn, Heinz; Antelo, Luis; Hof, Carolin; Anke, Heidrun Omphalotins E-I, Five Oxidatively Modified Nematicidal Cyclopeptides fromOmphalotus olearius European Journal of Organic Chemistry 2009 2009 (8) 1256-1262. | ||
|---|---|---|---|
| DOI | 10.1002/ejoc.200801068 | PMID | - |
