| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:36 UTC |
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| Update Date | 2025-03-21 18:04:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049570 |
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| Frequency | 66.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O3 |
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| Molecular Mass | 248.1161 |
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| SMILES | CC(=O)N1CCN(c2ccc(C(=O)O)cc2)CC1 |
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| InChI Key | ZKYICYCPDDEYGN-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 | acetamidesamino acidsaminobenzoic acids and derivativesaniline and substituted anilinesazacyclic compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylcarboxylic acid derivativeorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundbenzoic aciddialkylarylamineaminobenzoic acid or derivativestertiary amineacetamideazacycleaniline or substituted anilinesbenzoic acid or derivativescarboxamide groupphenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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