| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:39:27 UTC |
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| Update Date | 2025-03-24 22:10:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02013333 |
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| Frequency | 0.6 |
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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=C1CC2CC(O)C1N2 |
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| InChI Key | LWXSFXJDARVLTH-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 | pyrrolidones |
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| Direct Parent | pyrrolidine-3-ones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic alcohols and derivativesdialkylamineshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsecondary aliphatic aminecarbonyl groupazacycle3-pyrrolidonecyclic alcoholsecondary amineketonealiphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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