| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:50 UTC |
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| Update Date | 2025-03-25 00:47:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162059 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11NO3 |
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| Molecular Mass | 157.0739 |
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| SMILES | O=C(O)C1CC2CC(O)C1N2 |
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| InChI Key | CIBXWMPMYGHHNX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | pyrrolidine carboxylic acids and derivatives |
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| Direct Parent | pyrrolidine carboxylic acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic alcohols and derivativesdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineazacyclecyclic alcoholsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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