Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000758
PROPERTIES
| NPAID | NPA000758 |
|---|---|
| CLUSTER ID | 543 |
| NODE ID | 485 |
| NAME | Emestrin |
| FORMULA | C27H22N2O10S2 |
| MOLECULAR WEIGHT (Da) | 598.6110 |
| ACCURATE MASS (Da) | 598.0716 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | striata |
| InChIKey | UWWYWUMDYAWTKK-YITDFDIYSA-N |
| InChI | InChI=1S/C27H22N2O10S2/c1-28-24(34)27-22(32)14-11-37-8-7-17-20(14)29(27)25(35)26(28,40-41-27)21(31)12-3-5-15(30)18(9-12)38-19-10-13(23(33)39-17)4-6-16(19)36-2/h3-11,17,20-22,30-32H,1-2H3/t17-,20-,21-,22+,26+,27+/m0/s1 |
| SMILES | CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@H]4N2C(=O)[C@@]1([C@H](C6=CC(=C(C=C6)O)OC7=C(C=CC(=C7)C(=O)O5)OC)O)SS3)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Seya, Hideyuki; Nakajima, Shoichi; Kawai, Ken-ichi; Udagawa, Shun-ichi Structure and absolute configuration of emestrin, a new macrocyclic epidithiodioxopiperazine from Emericell striata Journal of the Chemical Society, Chemical Communications 1985 (10) 657-658. | ||
|---|---|---|---|
| DOI | 10.1039/c39850000657 | PMID | - |
