EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14O6 |
| Net Charge | 0 |
| Average Mass | 302.282 |
| Monoisotopic Mass | 302.07904 |
| SMILES | C=C(C=O)[C@@H]1CC[C@@H](C(=O)O)[C@]12Oc1ccc(O)cc1C2=O |
| InChI | InChI=1S/C16H14O6/c1-8(7-17)11-3-4-12(15(20)21)16(11)14(19)10-6-9(18)2-5-13(10)22-16/h2,5-7,11-12,18H,1,3-4H2,(H,20,21)/t11-,12-,16+/m0/s1 |
| InChIKey | DINWVVGAULGGQI-MQIPJXDCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma applanatum (ncbitaxon:29884) | - | PubMed (27996259) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Spiroapplanatumine N (CHEBI:206345) is a benzofurans (CHEBI:35259) |
| IUPAC Names |
|---|
| (1'R,2R,3'S)-5-hydroxy-3-oxo-3'-(3-oxoprop-1-en-2-yl)spiro[1-benzouran-2,2'-cyclopentane]-1'-carboxylic acid |
| (1'S,2S,3'R)-5-hydroxy-3-oxo-3'-(3-oxoprop-1-en-2-yl)spiro[1-benzouran-2,2'-cyclopentane]-1'-carboxylic acid |