| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:16 UTC |
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| Update Date | 2025-03-25 00:51:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188246 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | CC(O)(c1cccnc1)C1CCC(O)CC1 |
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| InChI Key | BXLAJDCBTOBIAA-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 | alcohols and polyols |
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| Direct Parent | cyclohexanols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscyclic alcohols and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclohexanolmethylpyridinecyclic alcoholtertiary alcoholpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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