Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006419
PROPERTIES
| NPAID | NPA006419 |
|---|---|
| CLUSTER ID | 2985 |
| NODE ID | 755 |
| NAME | Aspergillazine C |
| FORMULA | C20H22N2O8S |
| MOLECULAR WEIGHT (Da) | 450.4690 |
| ACCURATE MASS (Da) | 450.1097 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | unilateralis |
| InChIKey | LDSUQPVEEKUWMR-SEQHAUAXSA-N |
| InChI | InChI=1S/C20H22N2O8S/c1-28-12-5-3-9-7-10(17(25)30-14(9)15(12)29-2)22-18(26)20(21)8-19(27)13(31-20)6-4-11(23)16(19)24/h3-7,11,13,16,23-24,27H,8,21H2,1-2H3,(H,22,26)/t11-,13-,16+,19+,20?/m1/s1 |
| SMILES | COC1=C(C2=C(C=C1)C=C(C(=O)O2)NC(=O)C3(C[C@@]4([C@H](S3)C=C[C@H]([C@@H]4O)O)O)N)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Capon, Robert J; Ratnayake, Ranjala; Stewart, Michael; Lacey, Ernest; Tennant, Shaun; Gill, Jennifer H Aspergillazines A-E: novel heterocyclic dipeptides from an Australian strain of Aspergillus unilateralis Organic & Biomolecular Chemistry 2005 3 (1) 123-129. | ||
|---|---|---|---|
| DOI | 10.1039/b413440k | PMID | 15602607 |
