| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:33 UTC |
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| Update Date | 2025-03-25 00:54:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO3 |
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| Molecular Mass | 169.0739 |
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| SMILES | O=C(O)C1C2CCN1C=CC2O |
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| InChI Key | NVGPYCTWRUASOR-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 compoundsazepinescarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrrolidine carboxylic acidssecondary alcoholstetrahydropyridinestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidaliphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundalcoholazacycletertiary aliphatic aminetetrahydropyridinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundazepinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compoundenamine |
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