| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:32 UTC |
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| Update Date | 2025-03-21 18:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025553 |
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| Frequency | 151.0 |
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| Structure | |
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| Chemical Formula | C24H30ClNO4 |
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| Molecular Mass | 431.1863 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 |
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| InChI Key | YLCJNGVRFCQKSV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperidines |
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| Subclass | phenylpiperidines |
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| Direct Parent | phenylpiperidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-aminoalcoholsamino acidsaromatic alcoholsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpropanessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxideorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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