| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:15 UTC |
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| Update Date | 2025-03-21 18:07:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067508 |
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| Frequency | 45.0 |
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| Structure | |
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| Chemical Formula | C12H16N2O2 |
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| Molecular Mass | 220.1212 |
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| SMILES | CN1CCN(c2ccc(C(=O)O)cc2)CC1 |
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| InChI Key | UCFZVQHKTRSZMM-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 | amino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylpiperazinesn-methylpiperazinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | monocyclic benzene moietycarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineazacycleaniline or substituted anilinesn-alkylpiperazinetertiary aliphatic aminen-methylpiperazinebenzoic acid or derivativesphenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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