Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002745
PROPERTIES
| NPAID | NPA002745 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Eurocristatine |
| FORMULA | C32H36N6O4 |
| MOLECULAR WEIGHT (Da) | 568.6780 |
| ACCURATE MASS (Da) | 568.2798 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Eurotium |
| ORIGIN SPECIES | cristatum |
| InChIKey | VKGJCECPEIOHGI-VYWSVDQRSA-N |
| InChI | InChI=1S/C32H36N6O4/c1-15(2)23-27(41)37-21(25(39)35-23)13-31(17-9-5-7-11-19(17)33-29(31)37)32-14-22-26(40)36-24(16(3)4)28(42)38(22)30(32)34-20-12-8-6-10-18(20)32/h5-12,15-16,21-24,29-30,33-34H,13-14H2,1-4H3,(H,35,39)(H,36,40)/t21-,22-,23+,24+,29+,30+,31-,32-/m0/s1 |
| SMILES | CC(C)[C@@H]1C(=O)N2[C@@H](C[C@]3([C@@H]2NC4=CC=CC=C43)[C@]56C[C@H]7C(=O)N[C@@H](C(=O)N7[C@H]5NC8=CC=CC=C68)C(C)C)C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gomes, Nelson M.; Dethoup, Tida; Singburaudom, Narong; Gales, Luís; Silva, Artur M.S.; Kijjoa, Anake Eurocristatine, a new diketopiperazine dimer from the marine sponge-associated fungus Eurotium cristatum Phytochemistry Letters 2012 5 (4) 134-135. | ||
|---|---|---|---|
| DOI | 10.1016/j.phytol.2012.07.010 | PMID | - |
