| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:26 UTC |
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| Update Date | 2025-03-21 18:40:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130477 |
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| Frequency | 19.4 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | O=C(O)C1=CCCNC1 |
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| InChI Key | QTDZOWFRBNTPQR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | Not Available |
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| Subclass | alkaloids and derivatives |
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| Direct Parent | alkaloids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesalkaloid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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