| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:07 UTC |
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| Update Date | 2025-03-25 00:54:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | NC(=O)CCN1CCc2cc(O)c(O)cc2C1 |
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| InChI Key | DEPNLLJJRAMSST-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidestetrahydroisoquinolinestrialkylamines |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidcarboxamide grouparalkylaminebeta amino acid or derivativesorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganoheterocyclic compoundorganooxygen compound |
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