Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA030510
PROPERTIES
| NPAID | NPA030510 |
|---|---|
| CLUSTER ID | 3647 |
| NODE ID | 2740 |
| NAME | 5',6'-dihydroxyacetosellin |
| FORMULA | C23H24O8 |
| MOLECULAR WEIGHT (Da) | 428.4370 |
| ACCURATE MASS (Da) | 428.1471 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Epicoccum |
| ORIGIN SPECIES | nigrum 749 |
| InChIKey | XEMGWGTWWWNVQF-QKFNBBCUSA-N |
| InChI | InChI=1S/C23H24O8/c1-11(25)16(26)6-4-3-5-12-7-17(27)19-20-18(12)14-8-13(9-24)30-10-15(14)21(28)23(20,2)31-22(19)29/h3-7,11,13,16,24-27H,8-10H2,1-2H3/b5-3+,6-4+/t11?,13-,16?,23-/m0/s1 |
| SMILES | CC(O)C(O)/C=C/C=C/C1=CC(O)=C2C(=O)O[C@]3(C)C(=O)C4=C(C[C@@H](CO)OC4)C1=C23 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hufendiek, P; Stölben, SSM; Kehraus, S; Merten, N; Harms, H; Crüsemann, M; Arslan, I; Gütschow, M; Schneider, T; König, GM Biosynthetic Studies on Acetosellin and Structure Elucidation of a New Acetosellin Derivative. Planta Medica 2017 83 (12-13) 1044-1052. | ||
|---|---|---|---|
| DOI | 10.1055/s-0042-124493 | PMID | 28081580 |
