EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22O7 |
| Net Charge | 0 |
| Average Mass | 350.367 |
| Monoisotopic Mass | 350.13655 |
| SMILES | CC(=O)O[C@@H](C)CCC[C@@H]1CC(=O)c2c(CC(=O)O)cc(O)cc2O1 |
| InChI | InChI=1S/C18H22O7/c1-10(24-11(2)19)4-3-5-14-9-15(21)18-12(7-17(22)23)6-13(20)8-16(18)25-14/h6,8,10,14,20H,3-5,7,9H2,1-2H3,(H,22,23)/t10-,14+/m0/s1 |
| InChIKey | YUYMTGXTKPNCQN-IINYFYTJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Alternaria longipes (ncbitaxon:160389) | - | PubMed (32843724) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alterchromanone A (CHEBI:223569) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| 2-[(2R)-2-[(4S)-4-acetyloxypentyl]-7-hydroxy-4-oxo-2,3-dihydrochromen-5-yl]acetic acid |
| Manual Xrefs | Databases |
|---|---|
| 101936352 | ChemSpider |