CHEBI:94585 - LSM-5476

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ChEBI Name LSM-5476
ChEBI ID CHEBI:94585
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H17ClO6
Net Charge 0
Average Mass 364.778
Monoisotopic Mass 364.07137
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/t9-,14+,15+/m1/s1
InChIKey WYZWZEOGROVVHK-NKZPBKNFSA-N
SMILES C[C@@H]1C[C@H]2[C@@H](O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-5476 (CHEBI:94585) is a hydroxybenzoic acid (CHEBI:24676)
Manual Xref Database
LSM-5476 LINCS
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