CHEBI:91635 - 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone
ChEBI ID CHEBI:91635
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H29NO6
Net Charge 0
Average Mass 427.491
Monoisotopic Mass 427.19949
InChI InChI=1S/C24H29NO6/c1-15-5-4-8-25(13-15)23(27)12-18(16-6-7-20-21(9-16)31-14-30-20)24-19(26)10-17(28-2)11-22(24)29-3/h6-7,9-11,15,18,26H,4-5,8,12-14H2,1-3H3
InChIKey ISXDTMVXKAPUDE-UHFFFAOYSA-N
SMILES CC1CCCN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O
ChEBI Ontology
Outgoing 3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone (CHEBI:91635) is a methoxybenzenes (CHEBI:51683)
3-(1,3-benzodioxol-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-(3-methyl-1-piperidinyl)-1-propanone (CHEBI:91635) is a phenols (CHEBI:33853)
Manual Xref Database
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