Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019961
PROPERTIES
| NPAID | NPA019961 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Brocazine D |
| FORMULA | C19H22N2O8S2 |
| MOLECULAR WEIGHT (Da) | 470.5250 |
| ACCURATE MASS (Da) | 470.0818 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | brocae MA-231 |
| InChIKey | OQBICUASXZODNX-NCRURJJJSA-N |
| InChI | InChI=1S/C19H22N2O8S2/c1-29-11-3-9(23)7-5-19-16(27)20-12-6(8(22)2-10(24)14(12)25)4-18(20,30-31-19)17(28)21(19)13(7)15(11)26/h6-7,10-15,24-26H,2-5H2,1H3/t6-,7-,10-,11-,12-,13-,14-,15-,18+,19+/m0/s1 |
| SMILES | CO[C@H]1CC(=O)[C@@H]2C[C@@]34C(=O)N5[C@H]6[C@@H](C[C@]5(C(=O)N3[C@@H]2[C@H]1O)SS4)C(=O)C[C@@H]([C@@H]6O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui Brocazines A-F, cytotoxic bisthiodiketopiperazine derivatives from Penicillium brocae MA-231, an endophytic fungus derived from the marine mangrove plant Avicennia marina Journal of Natural Products 2014 77 (8) 1921-1927. | ||
|---|---|---|---|
| DOI | 10.1021/np500382k | PMID | 25105722 |
