Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007697
PROPERTIES
| NPAID | NPA007697 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | (2R,4bR,6aS,12bS,12cS,14aS)-4b-deoxy-β-aflatrem |
| FORMULA | C32H39NO3 |
| MOLECULAR WEIGHT (Da) | 485.6680 |
| ACCURATE MASS (Da) | 485.2930 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | flavus OUCMDZ-2205 |
| InChIKey | GKYRSDPAEHYGMZ-HVRDIXFZSA-N |
| InChI | InChI=1S/C32H39NO3/c1-8-28(2,3)18-10-12-24-20(15-18)21-16-19-9-11-22-23-17-25(34)27-29(4,5)36-32(23,35-27)14-13-30(22,6)31(19,7)26(21)33-24/h8,10,12,15,17,19,22,27,33H,1,9,11,13-14,16H2,2-7H3/t19-,22-,27-,30-,31+,32-/m0/s1 |
| SMILES | C[C@]12CC[C@]34C(=CC(=O)[C@H](O3)C(O4)(C)C)[C@@H]1CC[C@@H]5[C@@]2(C6=C(C5)C7=C(N6)C=CC(=C7)C(C)(C)C=C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sun, Kunlai; Li, Ye; Guo, Lei; Wang, Yi; Liu, Peipei; Zhu, Weiming Indole diterpenoids and isocoumarin from the fungus, Aspergillus flavus, isolated from the prawn, Penaeus vannamei Marine Drugs 2014 12 (7) 3970-3981. | ||
|---|---|---|---|
| DOI | 10.3390/md12073970 | PMID | 24983640 |
