Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010295
PROPERTIES
| NPAID | NPA010295 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin I |
| FORMULA | C76H125N13O20 |
| MOLECULAR WEIGHT (Da) | 1540.9070 |
| ACCURATE MASS (Da) | 1539.9164 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | FSRBKEPDLRLHRX-GNDNYEOBSA-N |
| InChI | InChI=1S/C76H125N13O20/c1-29-43(11)55-66(98)83(24)58(42(9)10)69(101)84(25)57(41(7)8)67(99)79(20)37-51(91)81(22)61(75(18,19)105)71(103)86(27)60(45(13)46(14)108-53(93)36-74(16,17)104)70(102)87(28)72(109-47(15)90)63(95)77-54(39(3)4)65(97)85(26)59(44(12)30-2)68(100)80(21)38-52(92)88-50(64(96)82(23)56(40(5)6)62(94)78-55)35-76(106)48-33-31-32-34-49(48)89(107)73(76)88/h31-34,39-46,50,54-61,72-73,104-107H,29-30,35-38H2,1-28H3,(H,77,95)(H,78,94)/t43?,44-,45-,46?,50-,54-,55-,56-,57-,58-,59-,60-,61+,72?,73+,76+/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)CC(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 | - |
