Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA022044
PROPERTIES
| NPAID | NPA022044 |
|---|---|
| CLUSTER ID | 2974 |
| NODE ID | 2278 |
| NAME | Emestrin J |
| FORMULA | C27H24N2O7S2 |
| MOLECULAR WEIGHT (Da) | 552.6300 |
| ACCURATE MASS (Da) | 552.1025 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Podospora |
| ORIGIN SPECIES | australis |
| InChIKey | BLIVHWUOHVIKNC-DOQQYFFYSA-N |
| InChI | InChI=1S/C27H24N2O7S2/c1-28-24(32)27-14-18-15-35-11-10-21(36-23(31)17-8-9-20(34-2)19(30)12-17)22(18)29(27)25(33)26(28,37-38-27)13-16-6-4-3-5-7-16/h3-12,15,21-22,30H,13-14H2,1-2H3/t21-,22-,26+,27+/m0/s1 |
| SMILES | CN1C(=O)[C@]23CC4=COC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CC5=CC=CC=C5)OC(=O)C6=CC(=C(C=C6)OC)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Yan; Yue, Qun; Krausert, Nicole M.; An, Zhiqiang; Gloer, James B.; Bills, Gerald F. Emestrins: Anti-Cryptococcus Epipolythiodioxopiperazines from Podospora australis Journal of Natural Products 2016 79 (9) 2357-2363. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.6b00498 | PMID | 27557418 |
