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CHEBI:94014 - (2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid

ChEBI IDCHEBI:94014
ChEBI Name(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid
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DownloadsMolfile
FormulaC18H24O5
Net Charge0
Average Mass320.385
Monoisotopic Mass320.16237
SMILESCC(C)(C)[C@@H]1C=C(C(=O)O)O[C@H](OCc2ccc(CO)cc2)C1
InChIInChI=1S/C18H24O5/c1-18(2,3)14-8-15(17(20)21)23-16(9-14)22-11-13-6-4-12(10-19)5-7-13/h4-8,14,16,19H,9-11H2,1-3H3,(H,20,21)/t14-,16+/m1/s1
InChIKeyVAMSGMZUBSWVBG-ZBFHGGJFSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,4S)-4-tert-butyl-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxylic acid (CHEBI:94014) is a benzyl alcohols (CHEBI:22743)
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LSM-4603LINCS