Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015309
PROPERTIES
| NPAID | NPA015309 |
|---|---|
| CLUSTER ID | 543 |
| NODE ID | 485 |
| NAME | Emestrin E |
| FORMULA | C28H24N2O10S4 |
| MOLECULAR WEIGHT (Da) | 676.7720 |
| ACCURATE MASS (Da) | 676.0314 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Cladorrhinum |
| ORIGIN SPECIES | sp. |
| InChIKey | BSACXXWPBIKXAX-SZEHRFTISA-N |
| InChI | InChI=1S/C28H24N2O10S4/c1-29-25(34)28-23(32)15-12-38-9-8-18-21(15)30(28)26(35)27(29,41-43-44-42-28)22(31)13-4-6-16(36-2)19(10-13)39-20-11-14(24(33)40-18)5-7-17(20)37-3/h4-12,18,21-23,31-32H,1-3H3/t18-,21-,22-,23+,27?,28+/m0/s1 |
| SMILES | CN1C(=O)[C@]23[C@@H](C4=COC=C[C@H]5[C@H]4N2C(=O)C1([C@H](C6=CC(=C(C=C6)OC)OC7=C(C=CC(=C7)C(=O)O5)OC)O)SSSS3)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 |
