EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O7 |
| Net Charge | 0 |
| Average Mass | 374.389 |
| Monoisotopic Mass | 374.13655 |
| SMILES | [H][C@]12O[C@@]1([H])[C@H]1OC(=O)[C@]2(O)[C@]2(C)CC[C@]3([H])C(=O)O[C@@H](c4ccoc4)C[C@@]3(C)[C@]12[H] |
| InChI | InChI=1S/C20H22O7/c1-18-7-11(9-4-6-24-8-9)25-16(21)10(18)3-5-19(2)14(18)12-13-15(26-13)20(19,23)17(22)27-12/h4,6,8,10-15,23H,3,5,7H2,1-2H3/t10-,11-,12-,13+,14+,15+,18-,19-,20+/m1/s1 |
| InChIKey | TXOMRNMZLZXJQP-ZQTGRHRJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Palmarin (CHEBI:7894) is a organic heterotricyclic compound (CHEBI:26979) |
| Palmarin (CHEBI:7894) is a organooxygen compound (CHEBI:36963) |
| Synonym | Source |
|---|---|
| Palmarin | KEGG COMPOUND |