Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009878
PROPERTIES
| NPAID | NPA009878 |
|---|---|
| CLUSTER ID | 2974 |
| NODE ID | 2278 |
| NAME | Secoemestrin C1 |
| FORMULA | C26H22N2O7S2 |
| MOLECULAR WEIGHT (Da) | 538.6030 |
| ACCURATE MASS (Da) | 538.0868 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladorrhinum |
| ORIGIN SPECIES | sp. |
| InChIKey | MAMPLLWSVYHHFB-XBIDAJIZSA-N |
| InChI | InChI=1S/C26H22N2O7S2/c1-27-23(32)26-13-17-14-34-10-9-20(35-22(31)16-7-8-18(29)19(30)11-16)21(17)28(26)24(33)25(27,36-37-26)12-15-5-3-2-4-6-15/h2-11,14,20-21,29-30H,12-13H2,1H3/t20-,21-,25?,26+/m0/s1 |
| SMILES | CN1C(=O)[C@]23CC4=COC=C[C@@H]([C@H]4N2C(=O)C1(SS3)CC5=CC=CC=C5)OC(=O)C6=CC(=C(C=C6)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Herath, Kithsiri B; Jayasuriya, Hiranthi; Ondeyka, John G; Polishook, Jon D; Bills, Gerald F; Dombrowski, Anne W; Cabello, Angeles; Vicario, Pasquale P; Zweerink, Hans; Guan, Ziqiang; Singh, Sheo B Isolation and Structures of Novel Fungal Metabolites as Chemokine Receptor (CCR2) Antagonists Journal of Antibiotics 2005 58 (11) 686-694. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2005.94 | PMID | 16466022 |
