| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:05 UTC |
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| Update Date | 2025-03-21 18:07:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067129 |
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| Frequency | 45.4 |
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| Structure | |
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| Chemical Formula | C25H32ClNO5 |
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| Molecular Mass | 461.1969 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)C(O)CCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 |
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| InChI Key | NBUXMJZJWPCFSU-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 compoundsphenylbutylaminesphenylpropanessecondary alcoholstertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidorganochloridecarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealcohol1,3-aminoalcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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