Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019224
PROPERTIES
| NPAID | NPA019224 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Fuscopeptin A |
| FORMULA | C86H139N21O22 |
| MOLECULAR WEIGHT (Da) | 1819.1830 |
| ACCURATE MASS (Da) | 1818.0404 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fuscovaginae |
| InChIKey | QPBOSUOSUAJYJU-WFMFZIQZSA-N |
| InChI | InChI=1S/C86H139N21O22/c1-22-25-27-33-55(108)38-61(109)97-57(24-3)85(127)107-35-30-34-60(107)78(120)99-58(36-40(4)5)77(119)94-49(17)71(113)92-47(15)69(111)91-48(16)70(112)93-50(18)73(115)101-63(41(6)7)79(121)89-39-62(110)90-46(14)72(114)102-64(42(8)9)80(122)95-51(19)74(116)103-65(43(10)11)81(123)98-56(23-2)76(118)106-68-53(21)129-86(128)59(37-54-31-28-26-29-32-54)100-82(124)66(44(12)87)105-83(125)67(45(13)88)104-75(117)52(20)96-84(68)126/h23-24,26,28-29,31-32,40-53,55,58-60,63-68,108H,22,25,27,30,33-39,87-88H2,1-21H3,(H,89,121)(H,90,110)(H,91,111)(H,92,113)(H,93,112)(H,94,119)(H,95,122)(H,96,126)(H,97,109)(H,98,123)(H,99,120)(H,100,124)(H,101,115)(H,102,114)(H,103,116)(H,104,117)(H,105,125)(H,106,118)/b56-23-,57-24+ |
| SMILES | CCCCCC(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 |
