Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017798
PROPERTIES
| NPAID | NPA017798 |
|---|---|
| CLUSTER ID | 5560 |
| NODE ID | 3936 |
| NAME | Gymnopeptide B |
| FORMULA | C85H152N18O19 |
| MOLECULAR WEIGHT (Da) | 1730.2580 |
| ACCURATE MASS (Da) | 1729.1481 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gymnopus |
| ORIGIN SPECIES | fusipes |
| InChIKey | HMASTEQXASMBFL-ZSIGTSDJSA-N |
| InChI | InChI=1S/C85H152N18O19/c1-40(2)58-80(117)94(28)38-56(105)86-51(23)77(114)98(32)63(44(9)10)71(108)87-52(24)79(116)100(34)66(47(15)16)76(113)93-62(55(27)104)84(121)103(37)68(49(19)20)75(112)92-61(43(7)8)83(120)102(36)67(48(17)18)74(111)91-60(42(5)6)82(119)101(35)64(45(11)12)72(109)88-53(25)78(115)99(33)65(46(13)14)73(110)90-59(41(3)4)81(118)95(29)39-57(106)97(31)69(50(21)22)85(122)96(30)54(26)70(107)89-58/h40-55,58-69,104H,38-39H2,1-37H3,(H,86,105)(H,87,108)(H,88,109)(H,89,107)(H,90,110)(H,91,111)(H,92,112)(H,93,113)/t51-,52-,53-,54-,55?,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 |
| SMILES | C[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](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@H](C(=O)N(CC(=O)N1)C)C(C)C)C)C)C(C)C)C)C)C(C)C)C(C)C)C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)O)C(C)C)C)C)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ványolós, Attila; Dékány, Miklós; Kovács, Bernadett; Krámos, Balázs; Bérdi, Péter; Zupkó, István; Hohmann, Judit; Béni, Zoltán Gymnopeptides A and B, Cyclic Octadecapeptides from the Mushroom Gymnopus fusipes Organic Letters 2016 18 (11) 2688-2691. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b01158 | PMID | 27194202 |
