| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:00 UTC |
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| Update Date | 2025-03-21 18:40:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131816 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C15H20N2O4 |
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| Molecular Mass | 292.1423 |
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| SMILES | Nc1ccc(C(=O)OCCN2CCC(C(=O)O)CC2)cc1 |
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| InChI Key | KGFXOTUCVJTHDT-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinesprimary aminestrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic amineorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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