| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:11 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O4 |
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| Molecular Mass | 252.111 |
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| SMILES | CN1CC(C(=O)O)NC(c2ccc(O)c(O)c2)C1 |
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| InChI Key | PGNRSFCOLZBSGH-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesn-methylpiperazinesorganic oxidesorganopnictogen compoundspiperazine carboxylic acidstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminesecondary aliphatic amineazacyclen-alkylpiperazinetertiary aliphatic aminen-methylpiperazinepiperazine-2-carboxylic acid1-hydroxy-4-unsubstituted benzenoidsecondary aminephenylpiperazinemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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