| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:37 UTC |
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| Update Date | 2025-03-25 00:56:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221272 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O4 |
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| Molecular Mass | 320.1736 |
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| SMILES | O=C(O)C=Cc1ccc(N2CCN(CCOCCO)CC2)cc1 |
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| InChI Key | JJYNMKZJFASYOQ-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 | alcohols and polyolsamino acidsaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acidscinnamic acids and derivativesdialkyl ethersdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpiperazinesn-arylpiperazinesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidcarboxylic acid derivativedialkyl ethercinnamic acid or derivativesorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminealcoholazacycleaniline or substituted anilinesn-alkylpiperazinetertiary aliphatic aminephenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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