| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:41 UTC |
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| Update Date | 2025-03-21 17:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010097 |
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| Frequency | 470.4 |
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| Structure | |
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| Chemical Formula | C25H32ClNO4 |
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| Molecular Mass | 445.202 |
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| SMILES | CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1 |
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| InChI Key | QVEFUSCPZQRWAJ-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 | amino 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 chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenylpiperidinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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