| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:15 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165330 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO5 |
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| Molecular Mass | 307.142 |
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| SMILES | CCC(=O)NC(CCCC(=O)O)COC(=O)c1ccccc1 |
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| InChI Key | NUHATKQQKWHLQZ-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 homomonocyclic compounds |
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| Alternative Parents | amino fatty acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidbenzoate estercarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidcarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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