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CHEBI:227770 - Cyclosulfoxicurvularin methyl ester
| Formula | C20H24O9S |
| Net Charge | 0 |
| Average Mass | 440.470 |
| Monoisotopic Mass | 440.11410 |
| SMILES | COC(=O)C1(O)CS(=O)C2CCC[C@H](C)OC(=O)Cc3cc(O)cc(O)c3C(=O)C21 |
| InChI | InChI=1S/C20H24O9S/c1-10-4-3-5-14-17(20(26,9-30(14)27)19(25)28-2)18(24)16-11(7-15(23)29-10)6-12(21)8-13(16)22/h6,8,10,14,17,21-22,26H,3-5,7,9H2,1-2H3/t10-,14?,17?,20?,30?/m0/s1 |
| InChIKey | NJWKUAGULZJZDD-XCRUPFPZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (27227682) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cyclosulfoxicurvularin methyl ester (CHEBI:227770) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| methyl (11S)-4,17,19-trihydroxy-11-methyl-2,6,13-trioxo-12-oxa-6lambda4-thiatricyclo[13.4.0.03,7]nonadeca-1(15),16,18-triene-4-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 58196980 | ChemSpider |