| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:18:25 UTC |
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| Update Date | 2025-03-24 20:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01101976 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C7H9NO2 |
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| Molecular Mass | 139.0633 |
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| SMILES | O=C(O)C1=CC2CC1CN2 |
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| InChI Key | KWVINCSELUAYQP-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 | pyrrolidines |
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| Direct Parent | pyrrolidines |
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| Geometric Descriptor | aliphatic heteropolycyclic 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 derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineorganooxygen compoundamine |
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