| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:37 UTC |
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| Update Date | 2025-03-25 00:48:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15Cl2NO3 |
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| Molecular Mass | 303.0429 |
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| SMILES | COC(=O)N1CCC(O)(c2ccc(Cl)cc2Cl)CC1 |
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| InChI Key | QNLBECWBQONZHN-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 | aryl chloridesazacyclic compoundscarbonyl compoundsdichlorobenzeneshydrocarbon derivativesmethylcarbamatesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundmethylcarbamateorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidaryl chloridechlorobenzenealcoholcarbonic acid derivativeazacyclecarbamic acid esteraryl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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