| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:53 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155581 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18N2O2 |
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| Molecular Mass | 234.1368 |
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| SMILES | Cc1ccc(N2CCN(C(=O)CO)CC2)cc1 |
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| InChI Key | BGYBLUSTYWTJJK-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 acids and derivativesaminotoluenesaniline and substituted anilinesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativescarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminealcoholaminotolueneazacycleaniline or substituted anilinescarboxamide groupphenylpiperazineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundtolueneaminen-arylpiperazineorganooxygen compound |
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