Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008707
PROPERTIES
| NPAID | NPA008707 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin H |
| FORMULA | C73H119N13O19 |
| MOLECULAR WEIGHT (Da) | 1482.8270 |
| ACCURATE MASS (Da) | 1481.8745 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | CHMDQEABSSULKV-MVSLCHIYSA-N |
| InChI | InChI=1S/C73H119N13O19/c1-28-41(11)53-64(95)80(23)56(40(9)10)67(98)81(24)55(39(7)8)65(96)76(19)35-50(89)78(21)59(72(17,18)101)69(100)83(26)58(43(13)44(14)104-45(15)87)68(99)84(27)70(105-46(16)88)61(92)74-52(37(3)4)63(94)82(25)57(42(12)29-2)66(97)77(20)36-51(90)85-49(62(93)79(22)54(38(5)6)60(91)75-53)34-73(102)47-32-30-31-33-48(47)86(103)71(73)85/h30-33,37-44,49,52-59,70-71,101-103H,28-29,34-36H2,1-27H3,(H,74,92)(H,75,91)/t41?,42-,43-,44?,49-,52-,53-,54-,55-,56-,57-,58-,59+,70?,71+,73+/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)OC(=O)C)C)[C@@H](C)C(C)OC(=O)C)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 | - |
