| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:33 UTC |
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| Update Date | 2025-03-21 18:31:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00087348 |
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| Frequency | 32.6 |
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| Structure | |
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| Chemical Formula | C12H18N2O3 |
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| Molecular Mass | 238.1317 |
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| SMILES | NC(=O)CCCCCn1c(C=O)ccc1CO |
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| InChI Key | NHQKXOACKYTJBW-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-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsazacyclic compoundscarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidessubstituted pyrroles |
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| Substituents | aromatic alcoholprimary carboxylic acid amidealcoholfatty acylaromatic heteromonocyclic compoundazacycleheteroaromatic compoundfatty amidesubstituted pyrrolecarboxamide groupcarboxylic acid derivativeorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
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