Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018064
PROPERTIES
| NPAID | NPA018064 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Fuscopeptin B |
| FORMULA | C88H143N21O22 |
| MOLECULAR WEIGHT (Da) | 1847.2370 |
| ACCURATE MASS (Da) | 1846.0717 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fuscovaginae |
| InChIKey | DIHOLNUONFKUJS-VAKZLOQXSA-N |
| InChI | InChI=1S/C88H143N21O22/c1-22-25-26-27-31-35-57(110)40-63(111)99-59(24-3)87(129)109-37-32-36-62(109)80(122)101-60(38-42(4)5)79(121)96-51(17)73(115)94-49(15)71(113)93-50(16)72(114)95-52(18)75(117)103-65(43(6)7)81(123)91-41-64(112)92-48(14)74(116)104-66(44(8)9)82(124)97-53(19)76(118)105-67(45(10)11)83(125)100-58(23-2)78(120)108-70-55(21)131-88(130)61(39-56-33-29-28-30-34-56)102-84(126)68(46(12)89)107-85(127)69(47(13)90)106-77(119)54(20)98-86(70)128/h23-24,28-30,33-34,42-55,57,60-62,65-70,110H,22,25-27,31-32,35-41,89-90H2,1-21H3,(H,91,123)(H,92,112)(H,93,113)(H,94,115)(H,95,114)(H,96,121)(H,97,124)(H,98,128)(H,99,111)(H,100,125)(H,101,122)(H,102,126)(H,103,117)(H,104,116)(H,105,118)(H,106,119)(H,107,127)(H,108,120)/b58-23-,59-24+ |
| SMILES | CCCCCCCC(O)CC(=O)N\C(=C\C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)N\C(=C/C)C(=O)NC1C(C)OC(=O)C(CC2=CC=CC=C2)NC(=O)C(NC(=O)C(NC(=O)C(C)NC1=O)C(C)N)C(C)N |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ballio, A; Bossa, F; Camoni, L; Di Giorgio, D; Flamand, M C; Maraite, H; Nitti, G; Pucci, P; Scaloni, A Structure of fuscopeptins, phytotoxic metabolites of Pseudomonas fuscovaginae FEBS Letters 1996 381 (3) 213-216. | ||
|---|---|---|---|
| DOI | 10.1016/0014-5793(96)00043-9 | PMID | 8601458 |
