Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025903
PROPERTIES
| NPAID | NPA025903 |
|---|---|
| CLUSTER ID | 7828 |
| NODE ID | 5334 |
| NAME | Botryosulfuranol B |
| FORMULA | C21H24N2O6S2 |
| MOLECULAR WEIGHT (Da) | 464.5650 |
| ACCURATE MASS (Da) | 464.1076 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Botryosphaeria |
| ORIGIN SPECIES | mamane |
| InChIKey | FFUFIKVVLJPVQD-KHDMTIDOSA-N |
| InChI | InChI=1S/C21H24N2O6S2/c1-22-18(27)21(31-3)16(25)19(11-7-6-10-14(19)24)29-23(21)17(26)20(22)15(30-2)12-8-4-5-9-13(12)28-20/h4-5,8-9,15-16,25H,6-7,10-11H2,1-3H3/t15-,16-,19+,20+,21-/m0/s1 |
| SMILES | CS[C@H]1C2=CC=CC=C2O[C@@]12C(=O)N1O[C@@]3(CCCCC3=O)[C@H](O)[C@]1(SC)C(=O)N2C |
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 |
