| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:52 UTC |
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| Update Date | 2025-03-21 18:33:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095290 |
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| Frequency | 29.1 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 |
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| InChI Key | MCWHCVCJSGDVIL-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 acids and derivativesaminobenzamidesaniline and substituted anilinesazacyclic compoundsbenzamidesbenzoyl derivativescarbonyl compoundscarboxylic acids and derivativesdialkylarylamineshydrocarbon derivativesn-arylpiperazinesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundamino acid or derivativesbenzoylcarboxylic acid derivativebenzamideorganic oxidetertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminobenzoic acid or derivativestertiary amineacetamideazacycleaniline or substituted anilinesbenzoic acid or derivativescarboxamide groupaminobenzamidephenylpiperazineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminen-arylpiperazineorganooxygen compound |
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