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CHEBI:94588 - LSM-5488

ChEBI IDCHEBI:94588
ChEBI NameLSM-5488
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DownloadsMolfile
FormulaC21H25NO7S
Net Charge0
Average Mass435.498
Monoisotopic Mass435.13517
SMILESCOc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c(NCC=O)c2)c(OC)c1
InChIInChI=1S/C21H25NO7S/c1-26-16-12-20(28-3)17(21(13-16)29-4)7-10-30(24,25)14-15-5-6-19(27-2)18(11-15)22-8-9-23/h5-7,9-13,22H,8,14H2,1-4H3
InChIKeyPOSHWWRILMRTTE-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-5488 (CHEBI:94588) is a aromatic ether (CHEBI:35618)
LSM-5488 (CHEBI:94588) is a substituted aniline (CHEBI:48975)
Manual XrefsDatabases
LSM-5488LINCS