Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005727530 | Gold | 3 |
| CCMSLIB00005727635 | Gold | 3 |
| CCMSLIB00005727556 | Gold | 3 |
| CCMSLIB00005727610 | Gold | 3 |
| CCMSLIB00000855920 | Gold | 1 |
| CCMSLIB00000478451 | Gold | 2 |
| CCMSLIB00012127601 | Gold | 4 |
| CCMSLIB00012127602 | Gold | 4 |
| CCMSLIB00009967398 | Gold | 4 |
| CCMSLIB00009967399 | Gold | 4 |
COMPOUND NPA032633
PROPERTIES
| NPAID | NPA032633 |
|---|---|
| CLUSTER ID | 2127 |
| NODE ID | 1698 |
| NAME | Penitrem A |
| FORMULA | C37H44ClNO6 |
| MOLECULAR WEIGHT (Da) | 634.2130 |
| ACCURATE MASS (Da) | 633.2857 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | crustosum |
| InChIKey | JDUWHZOLEDOQSR-JKPSMKLGSA-N |
| InChI | InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1 |
| SMILES | C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)C5=C6C7=C8C(=C(Cl)C=C7N5)CC(=C)[C@H]5C[C@H](C(C)(C)O[C@H]6[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O)[C@@]85O |
ORIGINAL ISOLATION REFERENCE
| CITATION | de Jesus, Amelia E.; Steyn, Pieter S.; van Heerden, Fanie R.; Vleggaar, Robert; Wessels, Philippus L.; Hull, William E. Tremorgenic mycotoxins from Penicillium crustosum. Structure elucidation and absolute configuration of penitrems B–F. Journal of the Chemical Society, Perkin Transactions 1 1983 (0) 1857-1861. | ||
|---|---|---|---|
| DOI | 10.1039/p19830001857 | PMID | - |
