Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020277
PROPERTIES
| NPAID | NPA020277 |
|---|---|
| CLUSTER ID | 262 |
| NODE ID | 141 |
| NAME | Tolaasin F |
| FORMULA | C94H163N21O25 |
| MOLECULAR WEIGHT (Da) | 1987.4600 |
| ACCURATE MASS (Da) | 1986.2129 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | tolaasii |
| InChIKey | GNSYIOGOBDUEMK-HGHFYUPGSA-N |
| InChI | InChI=1S/C94H163N21O25/c1-21-24-25-29-56(119)44-71(121)98-58(23-3)93(138)115-38-28-31-69(115)87(132)108-67(45-117)85(130)105-65(42-49(8)9)83(128)111-73(52(14)15)90(135)109-68(46-118)86(131)106-66(43-50(10)11)84(129)112-75(54(18)19)91(136)113-74(53(16)17)89(134)102-59(32-33-70(97)120)78(123)104-64(41-48(6)7)82(127)110-72(51(12)13)88(133)99-57(22-2)77(122)114-76-55(20)140-94(139)62(30-26-27-36-95)103-79(124)60(34-37-96)100-80(125)61(35-39-116)101-81(126)63(40-47(4)5)107-92(76)137/h22-23,47-56,59-69,72-76,116-119H,21,24-46,95-96H2,1-20H3,(H2,97,120)(H,98,121)(H,99,133)(H,100,125)(H,101,126)(H,102,134)(H,103,124)(H,104,123)(H,105,130)(H,106,131)(H,107,137)(H,108,132)(H,109,135)(H,110,127)(H,111,128)(H,112,129)(H,113,136)(H,114,122)/b57-22-,58-23-/t55-,56?,59-,60-,61+,62+,63+,64+,65-,66-,67-,68-,69+,72-,73-,74-,75-,76-/m1/s1 |
| SMILES | O=C(N[C@@H](C(N[C@@H](CC(C)C)C(N[C@H](C(N1)=O)CCO)=O)=O)[C@@H](C)OC([C@H](CCCCN)NC([C@H]1CCN)=O)=O)/C(NC([C@@H](C(C)C)NC([C@H](CC(C)C)NC([C@@H](CCC(N)=O)NC([C@@H](C(C)C)NC([C@@H](C(C)C)NC([C@@H](CC(C)C)NC([C@@H](CO)NC([C@@H](C(C)C)NC([C@@H](CC(C)C)NC([C@@H](CO)NC([C@H]2N(C(/C(NC(CC(CCCCC)O)=O)=C/C)=O)CCC2)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=C/C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Scherlach K; Lackner G; Graupner K; Pidot S; Bretschneider T; Hertweck C Biosynthesis and mass spectrometric imaging of tolaasin, the virulence factor of brown blotch mushroom disease. ChemBioChem 2013 14 (18) 2439-2443. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201300553 | PMID | 24222604 |
