Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025904
PROPERTIES
| NPAID | NPA025904 |
|---|---|
| CLUSTER ID | 7828 |
| NODE ID | 5334 |
| NAME | Botryosulfuranol C |
| FORMULA | C19H16N2O6S2 |
| MOLECULAR WEIGHT (Da) | 432.4790 |
| ACCURATE MASS (Da) | 432.0450 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryosphaeria |
| ORIGIN SPECIES | mamane |
| InChIKey | VOUCYTUBFKLYLN-AQQQZIQISA-N |
| InChI | InChI=1S/C19H16N2O6S2/c1-20-16(25)19-14(23)17(9-5-4-8-12(17)22)27-21(19)15(24)18(20)13(28-29-19)10-6-2-3-7-11(10)26-18/h2-4,6-8,13-14,23H,5,9H2,1H3/t13-,14+,17-,18-,19+/m0/s1 |
| SMILES | CN1C(=O)[C@@]23SS[C@H]4C5=CC=CC=C5O[C@]41C(=O)N2O[C@]1(CCC=CC1=O)[C@H]3O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barakat, Fatima; Vansteelandt, Marieke; Triastuti, Asih; Jargeat, Patricia; Jacquemin, Denis; Graton, Jérôme; Mejia, Kember; Cabanillas, Billy; Vendier, Laure; Stigliani, Jean-Luc; Haddad, Mohamed; Fabre, Nicolas Thiodiketopiperazines with two spirocyclic centers extracted from Botryosphaeria mamane, an endophytic fungus isolated from Bixa orellana L. Phytochemistry 2019 158 142-148. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytochem.2018.11.007 | PMID | 30576967 |
