Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001834
PROPERTIES
| NPAID | NPA001834 |
|---|---|
| CLUSTER ID | 172 |
| NODE ID | 161 |
| NAME | Asterriquinone B1 |
| FORMULA | C34H34N2O4 |
| MOLECULAR WEIGHT (Da) | 534.6560 |
| ACCURATE MASS (Da) | 534.2519 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | terreus |
| InChIKey | RTPUFVIDLSEXOV-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H34N2O4/c1-8-34(4,5)33-25(22-13-9-10-15-24(22)36-33)27-30(38)31(39-6)26(29(37)32(27)40-7)23-18-35-28-20(17-16-19(2)3)12-11-14-21(23)28/h8-16,18,35-36H,1,17H2,2-7H3 |
| SMILES | CC(=CCC1=CC=CC2=C1NC=C2C3=C(C(=O)C(=C(C3=O)OC)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tatsuta, K; Mukai, H; Mitsumoto, K Short and convergent synthesis of asterriquinone B1 and demethylasterriquinone B1 Journal of Antibiotics 2001 54 (1) 105-108. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.105 | PMID | 11269708 |
