| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:54 UTC |
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| Update Date | 2025-03-25 00:46:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O4 |
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| Molecular Mass | 306.158 |
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| SMILES | O=C(O)CCCCC(=O)N1CCN(c2ccc(O)cc2)CC1 |
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| InChI Key | IYBRCZOCYTVUTQ-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 | diazinanes |
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| Subclass | piperazines |
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| Direct Parent | phenylpiperazines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsamino acidsamino fatty acidsaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylarylaminesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidesp-aminophenols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidhydroxy fatty aciddialkylarylaminetertiary amineazacycleaniline or substituted anilinesaminophenolcarboxamide groupamino fatty acidphenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundp-aminophenolphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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