Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001117
PROPERTIES
| NPAID | NPA001117 |
|---|---|
| CLUSTER ID | 765 |
| NODE ID | 665 |
| NAME | Circumdatin D |
| FORMULA | C21H19N3O5 |
| MOLECULAR WEIGHT (Da) | 393.3990 |
| ACCURATE MASS (Da) | 393.1325 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | SKCHUVDMAXVDEA-INIZCTEOSA-N |
| InChI | InChI=1S/C21H19N3O5/c1-28-11-5-6-15-13(8-11)20(26)23-7-3-4-16(23)19-22-18-14(21(27)24(15)19)9-12(29-2)10-17(18)25/h5-6,8-10,16,25H,3-4,7H2,1-2H3/t16-/m0/s1 |
| SMILES | COC1=CC2=C(C=C1)N3C(=NC4=C(C=C(C=C4C3=O)OC)O)[C@@H]5CCCN5C2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rahbaek, Lisa; Breinholt, Jens Circumdatins D, E, and F: Further fungal benzodiazepine analogues from Aspergillus ochraceus Journal of Natural Products 1999 62 (6) 904-905. | ||
|---|---|---|---|
| DOI | 10.1021/np980495u | PMID | 10395516 |
