EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H17ClO6 |
| Net Charge | 0 |
| Average Mass | 364.781 |
| Monoisotopic Mass | 364.07137 |
| SMILES | CC1CC2OC2C=CC=CC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1 |
| InChI | InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3 |
| InChIKey | WYZWZEOGROVVHK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-6437 (CHEBI:95163) is a hydroxybenzoic acid (CHEBI:24676) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6437 | LINCS |