| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:31 UTC |
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| Update Date | 2025-03-25 00:47:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161323 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O6 |
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| Molecular Mass | 338.1478 |
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| SMILES | NC(Cc1ccccc1)C(O)C(NC(=O)OC1CCOC1)C(=O)O |
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| InChI Key | IIIZEEHOSLWIAM-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsamphetamines and derivativesbeta hydroxy acids and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy aciddialkyl etherbeta-hydroxy acidorganic oxidephenylbutylamineorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivativetetrahydrofurancarbamic acid esterhydroxy acidamino fatty acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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