Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000848815 | Gold | 1!CCMSLIB00000848816 |
| CCMSLIB00005722164 | Gold | 3 |
| CCMSLIB00005722165 | Gold | 3 |
COMPOUND NPA015716
PROPERTIES
| NPAID | NPA015716 |
|---|---|
| CLUSTER ID | 1830 |
| NODE ID | 1480 |
| NAME | Dethiosecoemestrin |
| FORMULA | C27H20N2O10 |
| MOLECULAR WEIGHT (Da) | 532.4610 |
| ACCURATE MASS (Da) | 532.1118 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | striata |
| InChIKey | APGIPIWYVRPJKL-REWPJTCUSA-N |
| InChI | InChI=1S/C27H20N2O10/c1-28-24(32)17-10-16-13-37-8-7-20(23(16)29(17)26(34)25(28)33)39-27(35)15-4-6-19(36-2)22(11-15)38-21-9-14(12-30)3-5-18(21)31/h3-13,20,23,31H,1-2H3/t20-,23-/m0/s1 |
| SMILES | CN1C(=O)C2=CC3=COC=C[C@@H]([C@H]3N2C(=O)C1=O)OC(=O)C4=CC(=C(C=C4)OC)OC5=C(C=CC(=C5)C=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seya, H; Nozawa, K; Udagawa, S; Nakajima, S; Kawai, K Studies on fungal products. IX. Dethiosecoemestrin, a new metabolite related to emestrin, from Emericella striata Chemical and Pharmaceutical Bulletin 1986 34 (6) 2411-2416. | ||
|---|---|---|---|
| DOI | 10.1248/cpb.34.2411 | PMID | 3769063 |
