Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024818
PROPERTIES
| NPAID | NPA024818 |
|---|---|
| CLUSTER ID | 2703 |
| NODE ID | 2091 |
| NAME | Jagaricin |
| FORMULA | C56H84N12O16 |
| MOLECULAR WEIGHT (Da) | 1181.3560 |
| ACCURATE MASS (Da) | 1180.6128 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Janthinobacterium |
| ORIGIN SPECIES | agaricidamnosum |
| InChIKey | GXSYDPCLPOIUNM-SDNZGRCJSA-N |
| InChI | InChI=1S/C56H84N12O16/c1-7-10-11-12-13-14-15-16-17-18-37(72)27-44(74)61-38(8-2)51(78)68-48-33(6)84-56(83)42(26-35-28-58-30-60-35)65-53(80)46(31(4)69)66-45(75)29-59-49(76)40(23-24-43(57)73)63-50(77)39(9-3)62-52(79)41(25-34-19-21-36(71)22-20-34)64-54(81)47(32(5)70)67-55(48)82/h8-9,19-22,28,30-33,37,40-42,46-48,69-72H,7,10-18,23-27,29H2,1-6H3,(H2,57,73)(H,58,60)(H,59,76)(H,61,74)(H,62,79)(H,63,77)(H,64,81)(H,65,80)(H,66,75)(H,67,82)(H,68,78)/b38-8-,39-9+/t31-,32-,33+,37-,40+,41+,42+,46-,47+,48-/m0/s1 |
| SMILES | CCCCCCCCCCC[C@@H](CC(=O)N/C(=C\C)/C(=O)N[C@H]1[C@H](OC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)[C@H](NC(=O)[C@H](NC1=O)[C@H](C)O)CC2=CC=C(C=C2)O)CCC(=O)N)[C@H](C)O)CC3=CN=CN3)C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Graupner K; Scherlach K; Bretschneider T; Lackner G; Roth M; Gross H; Hertweck C Imaging mass spectrometry and genome mining reveal highly antifungal virulence factor of mushroom soft rot pathogen. Angewandte Chemie International Edition 2012 51 (52) 13173-13177. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201206658 | PMID | 23161559 |
