Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577814 | Gold | 3 |
COMPOUND NPA001409
PROPERTIES
| NPAID | NPA001409 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Beauvericin J |
| FORMULA | C45H57N3O10 |
| MOLECULAR WEIGHT (Da) | 799.9620 |
| ACCURATE MASS (Da) | 799.4044 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | sp. BCC 28424 |
| InChIKey | KDXYYRZHRDVSQM-FFCOJMSVSA-N |
| InChI | InChI=1S/C45H57N3O10/c1-27(2)37-40(50)46(7)35(25-31-18-14-11-15-19-31)44(54)57-39(29(5)6)42(52)48(9)36(26-32-20-22-33(49)23-21-32)45(55)58-38(28(3)4)41(51)47(8)34(43(53)56-37)24-30-16-12-10-13-17-30/h10-23,27-29,34-39,49H,24-26H2,1-9H3/t34-,35-,36-,37+,38+,39+/m0/s1 |
| SMILES | CC(C)[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=C(C=C3)O)C)C(C)C)CC4=CC=CC=C4)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Isaka, Masahiko; Yangchum, Arunrat; Sappan, Malipan; Suvannakad, Rapheephat; Srikitikulchai, Prasert Cyclohexadepsipeptides from Acremonium sp. BCC 28424 Tetrahedron 2011 67 (41) 7929-7935. | ||
|---|---|---|---|
| DOI | 10.1016/j.tet.2011.08.041 | PMID | - |
