Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016672
PROPERTIES
| NPAID | NPA016672 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin G |
| FORMULA | C71H117N13O18 |
| MOLECULAR WEIGHT (Da) | 1440.7900 |
| ACCURATE MASS (Da) | 1439.8640 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | VSUDGMYITZGZKT-XAZLHRRZSA-N |
| InChI | InChI=1S/C71H117N13O18/c1-27-40(11)51-62(93)78(22)54(39(9)10)65(96)79(23)53(38(7)8)63(94)74(18)34-48(87)76(20)57(70(16,17)99)67(98)81(25)56(42(13)43(14)85)66(97)82(26)68(102-44(15)86)59(90)72-50(36(3)4)61(92)80(24)55(41(12)28-2)64(95)75(19)35-49(88)83-47(60(91)77(21)52(37(5)6)58(89)73-51)33-71(100)45-31-29-30-32-46(45)84(101)69(71)83/h29-32,36-43,47,50-57,68-69,85,99-101H,27-28,33-35H2,1-26H3,(H,72,90)(H,73,89)/t40?,41-,42-,43?,47-,50-,51-,52-,53-,54-,55-,56-,57+,68?,69+,71+/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)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 | - |
