| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:54 UTC |
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| Update Date | 2025-03-21 18:05:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059558 |
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| Frequency | 52.8 |
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| Structure | |
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| Chemical Formula | C11H19NO3 |
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| Molecular Mass | 213.1365 |
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| SMILES | COC(=O)C1C(O)CC2CCC1N(C)C2 |
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| InChI Key | LPCDIWHJTUIAKT-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 | azepanes |
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| Subclass | azepanes |
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| Direct Parent | azepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscyclic alcohols and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinessecondary alcoholstrialkylamines |
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| Substituents | carbonyl groupamino acid or derivativescarboxylic acid derivativealiphatic heteropolycyclic compoundbeta-hydroxy acidorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminealcoholazacycletertiary aliphatic aminehydroxy acidcyclic alcoholmonocarboxylic acid or derivativesazepaneorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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