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CHEBI:176123 - Silica aerogel

Default Structure
ChEBI IDCHEBI:176123
ChEBI NameSilica aerogel
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22N2O3S2
Net Charge0
Average Mass438.574
Monoisotopic Mass438.10718
SMILESCOc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H22N2O3S2/c1-15-4-6-17(7-5-15)21(27)14-30-23-24-16(2)12-22(25-23)29-13-20(26)18-8-10-19(28-3)11-9-18/h4-12H,13-14H2,1-3H3
InChIKeyUCVZLNNJKDOOBO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Silica aerogel (CHEBI:176123) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(4-methoxyphenyl)-2-[6-methyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulanylpyrimidin-4-yl]sulanylethanone
Manual XrefsDatabases
977052ChemSpider
HMDB0032503HMDB