| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:02 UTC |
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| Update Date | 2025-03-25 00:52:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196699 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H23NO2 |
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| Molecular Mass | 249.1729 |
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| SMILES | CCC(O)CCCCCN=C(O)c1ccccc1 |
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| InChI Key | JRHOFHQDOVLLHR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholcarboximidic acidmonocyclic benzene moietyorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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