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CHEBI:206688 - Secoemestrin C
| Formula | C27H22N2O10S4 |
| Net Charge | 0 |
| Average Mass | 662.745 |
| Monoisotopic Mass | 662.01573 |
| SMILES | COc1ccc(C(=O)O[C@H]2C=COC=C3[C@@H](O)[C@]45SSSS[C@H](C(=O)N4[C@@H]32)N(C)C5=O)cc1Oc1cc(C=O)ccc1O |
| InChI | InChI=1S/C27H22N2O10S4/c1-28-24-23(33)29-21-15(22(32)27(29,26(28)35)41-43-42-40-24)12-37-8-7-18(21)39-25(34)14-4-6-17(36-2)20(10-14)38-19-9-13(11-30)3-5-16(19)31/h3-12,18,21-22,24,31-32H,1-2H3/t18-,21-,22+,24+,27+/m0/s1 |
| InChIKey | GGRMGMVFFCJIEH-MDCXFTONSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus foveolatus (ncbitaxon:210207) | - | DOI (10.1016/s0031-9422(97)00210-0) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Secoemestrin C (CHEBI:206688) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| [(1R,2R,8S,9S,12R)-2-hydroxy-18-methyl-11,17-dioxo-5-oxa-13,14,15,16-tetrathia-10,18-diazatetracyclo[10.4.2.01,10.03,9]octadeca-3,6-dien-8-yl] 3-(5-ormyl-2-hydroxyphenoxy)-4-methoxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 78441071 | ChemSpider |