EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H12O5 |
| Net Charge | 0 |
| Average Mass | 248.234 |
| Monoisotopic Mass | 248.06847 |
| SMILES | Cc1cc(O)c2c(=O)c3c(oc2c1)[C@H](O)C[C@@H]3O |
| InChI | InChI=1S/C13H12O5/c1-5-2-6(14)10-9(3-5)18-13-8(16)4-7(15)11(13)12(10)17/h2-3,7-8,14-16H,4H2,1H3/t7-,8+/m0/s1 |
| InChIKey | QLQRHWHIJOAONW-JGVFFNPUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fimetariellaspecies (ncbitaxon:2011720) | - | PubMed (23685047) | |
| Penicillium oxalicum (ncbitaxon:69781) | - | DOI (10.1246/cl.140138) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Coniochaetone G (CHEBI:206156) is a chromones (CHEBI:23238) |
| IUPAC Names |
|---|
| (1S,3R)-1,3,8-trihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one |
| methyl (1S)-1,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,3-dihydrocyclopenta[b]chromene-1-carboxylate |