| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:46 UTC |
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| Update Date | 2025-03-25 00:54:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207553 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO2 |
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| Molecular Mass | 219.1259 |
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| SMILES | O=C(CC1CCC(O)CC1)c1ccccn1 |
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| InChI Key | COBRTVODJULRLP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscyclic alcohols and derivativescyclohexanolsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | alcoholaryl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclohexanolcyclic alcoholorganic oxidepyridineorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compound |
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