EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18O5 |
| Net Charge | 0 |
| Average Mass | 278.304 |
| Monoisotopic Mass | 278.11542 |
| SMILES | C[C@H](O)CCCC1=CC2=CC(=O)[C@](C)(O)C(=O)C2=CO1 |
| InChI | InChI=1S/C15H18O5/c1-9(16)4-3-5-11-6-10-7-13(17)15(2,19)14(18)12(10)8-20-11/h6-9,16,19H,3-5H2,1-2H3/t9-,15-/m0/s1 |
| InChIKey | FWIMHXFNBNJRBI-VFZGTOFNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (7S)‐7‐hydroxy‐3‐[(4S)‐4‐hydroxypentyl]‐7‐methyl‐ 7,8‐dihydro‐6H‐isochromene‐6,8‐dione (CHEBI:747264) is a 2-benzopyran (CHEBI:38444) |
| UniProt Name | Source |
|---|---|
| (7S)‐7‐hydroxy‐3‐[(4S)‐4‐hydroxypentyl]‐7‐methyl‐ 7,8‐dihydro‐6H‐isochromene‐6,8‐dione | UniProt |
| Citations |
|---|