Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000119
PROPERTIES
| NPAID | NPA000119 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin F |
| FORMULA | C69H115N13O17 |
| MOLECULAR WEIGHT (Da) | 1398.7530 |
| ACCURATE MASS (Da) | 1397.8534 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | AQUXETDXUGAKJQ-UTCVAVSRSA-N |
| InChI | InChI=1S/C69H115N13O17/c1-26-39(11)49-60(90)76(21)52(38(9)10)63(93)77(22)51(37(7)8)61(91)72(17)33-46(84)74(19)55(68(15,16)97)65(95)79(24)54(41(13)42(14)83)64(94)80(25)66(96)57(87)70-48(35(3)4)59(89)78(23)53(40(12)27-2)62(92)73(18)34-47(85)81-45(58(88)75(20)50(36(5)6)56(86)71-49)32-69(98)43-30-28-29-31-44(43)82(99)67(69)81/h28-31,35-42,45,48-55,66-67,83,96-99H,26-27,32-34H2,1-25H3,(H,70,87)(H,71,86)/t39?,40-,41-,42?,45-,48-,49-,50-,51-,52-,53-,54-,55+,66?,67+,69+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N(CC(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)O)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(C(C(=O)N[C@H](C(=O)N1C)C(C)C)O)C)[C@@H](C)C(C)O)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 | - |
