| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:56 UTC |
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| Update Date | 2025-03-25 00:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO3 |
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| Molecular Mass | 181.0739 |
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| SMILES | O=C(O)C1=CCC(=O)C2CCCN12 |
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| InChI Key | YZAVJHPOOBKWJS-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 | alpha amino acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarboxylic acidsenamineshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidinestetrahydropyridinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidketonealiphatic heteropolycyclic compoundorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminetetrahydropyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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