Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008172
PROPERTIES
| NPAID | NPA008172 |
|---|---|
| CLUSTER ID | 3540 |
| NODE ID | 872 |
| NAME | Not named |
| FORMULA | C17H20N2O5 |
| MOLECULAR WEIGHT (Da) | 332.3560 |
| ACCURATE MASS (Da) | 332.1372 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Paecilomyces |
| ORIGIN SPECIES | marquandii |
| InChIKey | NODJPSIQFZDTJH-YNMRENSMSA-N |
| InChI | InChI=1S/C17H20N2O5/c1-4-5-6-7-8(20)9-10-11-12(19-15(23)18-11)16(2,13(9)21)14(22)17(10,3)24/h4-7,10-12,20,24H,1-3H3,(H2,18,19,23)/b5-4+,7-6+,9-8-/t10-,11+,12+,16-,17+/m1/s1 |
| SMILES | C/C=C/C=C/C(=C/1\[C@@H]2[C@H]3[C@@H]([C@](C1=O)(C(=O)[C@@]2(C)O)C)NC(=O)N3)/O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cabrera, Gabriela M.; Butler, Matias; Rodriguez, M. Alejandra; Godeas, Alicia; Haddad, Renata; Eberlin, Marcos N. A sorbicillinoid urea from an intertidal Paecilomyces marquandii Journal of Natural Products 2006 69 (12) 1806-1808. | ||
|---|---|---|---|
| DOI | 10.1021/np060315d | PMID | 17190466 |
