Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006719
PROPERTIES
| NPAID | NPA006719 |
|---|---|
| CLUSTER ID | 2843 |
| NODE ID | 148 |
| NAME | Sphaeropsidin B |
| FORMULA | C20H28O5 |
| MOLECULAR WEIGHT (Da) | 348.4390 |
| ACCURATE MASS (Da) | 348.1937 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Unknown-fungus |
| ORIGIN SPECIES | sp.s |
| InChIKey | XJXDJAQAAAVDCT-PBOOBJRZSA-N |
| InChI | InChI=1S/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20+/m1/s1 |
| SMILES | C[C@@]1(CC[C@]2(C(=C1)[C@H]([C@]3([C@@H]4[C@@]2(CCCC4(C)C)C(=O)O3)O)O)O)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lallemand, Benjamin; Masi, Marco; Maddau, Lucia; Lorenzi, Manuela De; Dam, Ricard; Cimmino, Alessio; Banuls, Laetitia Moreno y; Andolfi, Anna; Kiss, Robert; Mathieu, Véronique; Evidente, Antonio Evaluation of in vitro anticancer activity of sphaeropsidins A-C, fungal rearranged pimarane diterpenes, and semisynthetic derivatives Phytochemistry Letters 2012 5 (4) 817-823. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytol.2012.08.011 | PMID | - |
