EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:182852 - 9-(Chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
| Formula | C15H21ClO5 |
| Net Charge | 0 |
| Average Mass | 316.781 |
| Monoisotopic Mass | 316.10775 |
| SMILES | CC(C)C1CCC(O)(CCl)C2C(=O)OCC(C(=O)O)=CC12 |
| InChI | InChI=1S/C15H21ClO5/c1-8(2)10-3-4-15(20,7-16)12-11(10)5-9(13(17)18)6-21-14(12)19/h5,8,10-12,20H,3-4,6-7H2,1-2H3,(H,17,18) |
| InChIKey | BJGUEPXNQKBVBW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 9-(Chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid (CHEBI:182852) is a terpene lactone (CHEBI:37668) |
| IUPAC Name |
|---|
| 9-(chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid |