| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:42 UTC |
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| Update Date | 2025-03-25 01:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H13NO3 |
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| Molecular Mass | 171.0895 |
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| SMILES | O=C(O)C1CC2CC(CC2O)N1 |
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| InChI Key | KHWPQSGYCCVQGH-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 compoundsazepanescarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinecarboxylic acidpiperidineorganoheterocyclic compoundalcoholsecondary aliphatic amineazacyclecyclic alcoholsecondary aminemonocarboxylic acid or derivativesazepaneorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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