Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001770
PROPERTIES
| NPAID | NPA001770 |
|---|---|
| CLUSTER ID | 716 |
| NODE ID | 11 |
| NAME | Stemphyltoxin III |
| FORMULA | C20H12O6 |
| MOLECULAR WEIGHT (Da) | 348.3100 |
| ACCURATE MASS (Da) | 348.0634 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Stemphylium |
| ORIGIN SPECIES | botryosum var. Lactucum |
| InChIKey | OXZKROMWFXHLSV-RNQOJCNYSA-N |
| InChI | InChI=1S/C20H12O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-6,16,18-19,21-22,25H/t16-,18+,19-,20-/m0/s1 |
| SMILES | C1=CC(=C2C3=C1C4=C5C(=C(C=C4)O)C(=O)C=C[C@]5([C@@H]3[C@@H]6[C@H](C2=O)O6)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Arnone, Alberto; Nasini, Gianluca; Merlini, Lucio; Assante, Gemma Secondary mould metabolites. Part 16. Stemphyltoxins, new reduced perylenequinone metabolites from Stemphylium botryosum var. Lactucum Journal of the Chemical Society, Perkin Transactions 1 1986 525-530. | ||
|---|---|---|---|
| DOI | 10.1039/p19860000525 | PMID | - |
