Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027654
PROPERTIES
| NPAID | NPA027654 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Shearinine L |
| FORMULA | C37H45NO5 |
| MOLECULAR WEIGHT (Da) | 583.7690 |
| ACCURATE MASS (Da) | 583.3298 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Escovopsis |
| ORIGIN SPECIES | weberi |
| InChIKey | BCLFITLKNGDUSP-SMJHMSJBSA-N |
| InChI | InChI=1S/C37H45NO5/c1-32(2)18-24-21-16-27-22(13-19(21)14-25(24)34(5,6)43-32)23-15-20-9-12-37(41)26-17-28(39)31(33(3,4)40)42-29(26)10-11-35(37,7)36(20,8)30(23)38-27/h10,13,16-18,20,25,31,38,40-41H,9,11-12,14-15H2,1-8H3/t20-,25-,31-,35+,36+,37+/m0/s1 |
| SMILES | CC1(C)C=C2C3=CC4=C(C=C3C[C@@H]2C(C)(C)O1)C1=C([NH]4)[C@@]2(C)[C@@H](CC[C@@]3(O)C4=CC(=O)[C@@H](C(C)(C)O)OC4=CC[C@@]32C)C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dhodary, Basanta; Schilg, Michele; Wirth, Rainer; Spiteller, Dieter Secondary Metabolites from Escovopsis weberi and Their Role in Attacking the Garden Fungus of Leaf-Cutting Ants Chemistry - A European Journal 2018 24 (17) 4445-4452. | ||
|---|---|---|---|
| DOI | 10.1002/chem.201706071 | PMID | 29356159 |
