Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577620 | Gold | 3 |
COMPOUND NPA000641
PROPERTIES
| NPAID | NPA000641 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Enniatin J2 |
| FORMULA | C32H55N3O9 |
| MOLECULAR WEIGHT (Da) | 625.8040 |
| ACCURATE MASS (Da) | 625.3938 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Fusarium |
| ORIGIN SPECIES | sp. |
| InChIKey | XAMQMLHUKZPWHG-BXEKCNPMSA-N |
| InChI | InChI=1S/C32H55N3O9/c1-15-20(10)23-32(41)44-24(17(4)5)27(36)33(12)21(11)30(39)42-25(18(6)7)28(37)34(13)22(16(2)3)31(40)43-26(19(8)9)29(38)35(23)14/h16-26H,15H2,1-14H3/t20-,21?,22-,23-,24+,25+,26+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N(C(C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)C(C)C)C)C(C)C)C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pohanka, Anton; Capieau, Kristof; Broberg, Anders; Stenlid, Jan; Stenstroem, Elna; Kenne, Lennart Enniatins of Fusarium sp. strain F31 and their inhibition of Botrytis cinerea spore germination Journal of Natural Products 2004 67 (5) 851-857. | ||
|---|---|---|---|
| DOI | 10.1021/np0340448 | PMID | 15165149 |
