EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H20O4 |
| Net Charge | 0 |
| Average Mass | 264.321 |
| Monoisotopic Mass | 264.13616 |
| SMILES | [H][C@@]12/C=C(\C)CC/C=C(/CO)C[C@H](O)[C@@]1([H])C(=C)C(=O)O2 |
| InChI | InChI=1S/C15H20O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,12-14,16-17H,2-4,7-8H2,1H3/b9-6+,11-5+/t12-,13+,14+/m0/s1 |
| InChIKey | IAYQFYAFBVYKJZ-MZFVZPGVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| budlein B (CHEBI:145099) is a germacranolide (CHEBI:73011) |