Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012279
PROPERTIES
| NPAID | NPA012279 |
|---|---|
| CLUSTER ID | 46 |
| NODE ID | 11 |
| NAME | Geodin hydrate |
| FORMULA | C17H14Cl2O7 |
| MOLECULAR WEIGHT (Da) | 401.1980 |
| ACCURATE MASS (Da) | 400.0117 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | terreus |
| InChIKey | GJQXBDZABFKPRH-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H14Cl2O7/c1-7-11(18)6-9(16(21)22)15(13(7)19)26-14-10(17(23)25-3)4-8(20)5-12(14)24-2/h4-6,20H,1-3H3,(H,21,22) |
| SMILES | CC1=C(C=C(C(=C1Cl)OC2=C(C=C(C=C2C(=O)OC)O)OC)C(=O)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Calam, C t; Clutterbuck, P w; Oxford, A e; Raistrick, H Studies on the biochemistry of micro-organisms: 74. The molecular constitution of geodin and erdin, two chlorine-containing metabolic products of Aspergillus terreus Thom. Part 3. Possible structural formulae for geodin and erdin Biochemical Journal 1947 41 (3) 458-463. | ||
|---|---|---|---|
| DOI | 10.1042/bj0410458 | PMID | 16748191 |
