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CHEBI:91672 - (3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone

ChEBI IDCHEBI:91672
ChEBI Name(3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
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DownloadsMolfile
FormulaC25H31NO6
Net Charge0
Average Mass441.524
Monoisotopic Mass441.21514
SMILESCOc1cc(O)c([C@@H](CC(=O)N2CC(C)CC(C)C2)c2ccc3c(c2)OCO3)c(OC)c1
InChIInChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15?,16?,19-/m0/s1
InChIKeyYEKVAIMYYCZDLI-RJYAGPCLSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone (CHEBI:91672) is a methoxybenzenes (CHEBI:51683)
(3S)-3-(1,3-benzodioxol-5-yl)-1-(3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone (CHEBI:91672) is a phenols (CHEBI:33853)
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