Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016113
PROPERTIES
| NPAID | NPA016113 |
|---|---|
| CLUSTER ID | 101 |
| NODE ID | 96 |
| NAME | Omphalotin B |
| FORMULA | C74H123N13O18 |
| MOLECULAR WEIGHT (Da) | 1482.8710 |
| ACCURATE MASS (Da) | 1481.9109 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Omphalotus |
| ORIGIN SPECIES | olearius |
| InChIKey | OXFJMJABEYYCPG-HVGKCGLGSA-N |
| InChI | InChI=1S/C74H123N13O18/c1-28-42(11)53-64(95)82(23)56(41(9)10)67(98)83(24)55(40(7)8)65(96)78(19)36-49(88)80(21)59(73(17,18)103)69(100)85(26)58(44(13)45(14)105-51(90)35-72(15,16)102)68(99)86(27)70(101)61(92)76-52(38(3)4)63(94)84(25)57(43(12)29-2)66(97)79(20)37-50(89)87-48(62(93)81(22)54(39(5)6)60(91)77-53)34-74(104)46-32-30-31-33-47(46)75-71(74)87/h30-33,38-45,48,52-59,70-71,75,101-104H,28-29,34-37H2,1-27H3,(H,76,92)(H,77,91)/t42-,43-,44-,45-,48-,52-,53-,54-,55-,56-,57?,58-,59+,70+,71?,74+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=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@@H](C(=O)N[C@H](C(=O)N(C(C(=O)N(CC(=O)N2[C@@H](C[C@@]3(C2NC4=CC=CC=C43)O)C(=O)N([C@H](C(=O)N1)C(C)C)C)C)[C@@H](C)CC)C)C(C)C)O)C)[C@@H](C)[C@H](C)OC(=O)CC(C)(C)O)C)C(C)(C)O)C)C)C(C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Büchel, Edwin; Martini, Ulrike; Mayer, Anke; Anke, Heidrun; Sterner, Olov Omphalotins B, C and D, nematicidal cyclopeptides from Omphalotus olearius. Absolute configuration of omphalotin A Tetrahedron 1998 54 (20) 5345-5352. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(98)00209-9 | PMID | - |
