| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:55 UTC |
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| Update Date | 2025-03-21 18:40:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129251 |
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| Frequency | 19.7 |
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| Structure | |
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| Chemical Formula | C14H20N2O2 |
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| Molecular Mass | 248.1525 |
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| SMILES | Nc1ccc(C(=O)OCCN2CCCCC2)cc1 |
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| InChI Key | RDFVDGDLUPHSSN-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 acids and derivativesazacyclic compoundsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspiperidinesprimary aminestrialkylamines |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoylbenzoate estercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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