Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000439
PROPERTIES
| NPAID | NPA000439 |
|---|---|
| CLUSTER ID | 342 |
| NODE ID | 11 |
| NAME | Daldinone B |
| FORMULA | C20H12O6 |
| MOLECULAR WEIGHT (Da) | 348.3100 |
| ACCURATE MASS (Da) | 348.0634 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Daldinia |
| ORIGIN SPECIES | concentrica |
| InChIKey | DMWQYJHMAMRHJJ-YSIASYRMSA-N |
| InChI | InChI=1S/C20H12O6/c21-9-3-1-6-8-5-11(23)15-16(18(25)20-19(26-20)17(15)24)13(8)7-2-4-10(22)14(9)12(6)7/h1-5,17,19-21,23-25H/t17-,19-,20+/m0/s1 |
| SMILES | O=C1C=CC2=C3C4=C(O)[C@H]5O[C@H]5[C@@H](O)C4=C(O)C=C3C3=C2C1=C(O)C=C3 |
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 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1=CC(=C2C(=CC=C3C2=C1C4=CC(=C5[C@@H](C(=O)[C@H]6[C@@H](C5=C34)O6)O)O)O)O | 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 | ||
| 2 | O=C1C=CC2=C3C4=C(O)[C@H]5O[C@H]5[C@@H](O)C4=C(O)C=C3C3=C2C1=C(O)C=C3 | Du, Lin; King, Jarrod B.; Cichewicz, Robert H. Chlorinated polyketide obtained from a Daldinia sp. treated with the epigenetic modifier suberoylanilide hydroxamic acid Journal of Natural Products 2014 77 (11) 2454-2458. DOI: 10.1021/np500522z PMID: 25338315 | ||
