Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010590
PROPERTIES
| NPAID | NPA010590 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Lolitrem C |
| FORMULA | C42H57NO7 |
| MOLECULAR WEIGHT (Da) | 687.9180 |
| ACCURATE MASS (Da) | 687.4135 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Acremonium |
| ORIGIN SPECIES | lolii |
| InChIKey | LUFWRTHVYHNYCL-WZGHVFPCSA-N |
| InChI | InChI=1S/C42H57NO7/c1-20(2)17-28-47-32-34(38(7,8)48-28)46-27-14-15-39(9)40(10)21(13-16-41(39,45)42(27)35(32)49-42)18-24-29-23-19-25-30(37(5,6)50-36(25,3)4)31(44)22(23)11-12-26(29)43-33(24)40/h11-12,20-21,25,27-28,30,32,34-35,43,45H,13-19H2,1-10H3/t21-,25+,27-,28-,30-,32+,34-,35+,39+,40+,41-,42-/m0/s1 |
| SMILES | CC(C)C[C@H]1O[C@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@]5([C@]4(CC[C@@H]6[C@@]5(C7=C(C6)C8=C(N7)C=CC9=C8C[C@@H]3[C@@H](C9=O)C(OC3(C)C)(C)C)C)O)C)O[C@@H]2C(O1)(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Munday-Finch, Sarah C.; Miles, Christopher O.; Wilkins, Alistair L.; Hawkes, Allan D. Isolation and Structure Elucidation of Lolitrem A, a Tremorgenic Mycotoxin from Perennial Ryegrass Infected with Acremonium lolii Journal of Agricultural and Food Chemistry 1995 43 (5) 1283-1288. | ||
|---|---|---|---|
| DOI | 10.1021/jf00053a029 | PMID | - |
