| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:55:09 UTC |
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| Update Date | 2025-03-21 18:04:28 UTC |
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| HMDB ID | HMDB0255577 |
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| Metabolite Identification |
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| DeepMet ID | DMID00050841 |
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| Name | Nicametate |
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| Frequency | 64.4 |
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| Structure | |
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| Chemical Formula | C12H18N2O2 |
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| Molecular Mass | 222.1368 |
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| SMILES | CCN(CC)CCOC(=O)c1cccnc1 |
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| InChI Key | JVWOCHRRAWHKLT-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 | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acids and derivativesazacyclic compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundazacycleamino acid or derivativespyridine-3-carboxylic acidheteroaromatic compoundtertiary aliphatic aminemethylpyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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