Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009625
PROPERTIES
| NPAID | NPA009625 |
|---|---|
| CLUSTER ID | 3893 |
| NODE ID | 11 |
| NAME | Daldinone A |
| FORMULA | C20H16O5 |
| MOLECULAR WEIGHT (Da) | 336.3430 |
| ACCURATE MASS (Da) | 336.0998 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | sp. |
| InChIKey | OYRYUFABCKQXTO-HGCCHXFOSA-N |
| InChI | InChI=1S/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12+,20+/m1/s1 |
| SMILES | C1CC(=O)C2=C(C=CC3=C2[C@H]1[C@H]4[C@@]3(C5=C(C(=O)C4)C(=CC=C5)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Quang, Dang Ngoc; Hashimoto, Toshihiro; Tanaka, Masami; Baumgartner, Manuela; Stadler, Marc; Asakawa, Yoshinori Chemical Constituents of the Ascomycete Daldinia concentrica Journal of Natural Products 2002 65 (12) 1869-1874. | ||
|---|---|---|---|
| DOI | 10.1021/np020301h | PMID | 12502330 |
