| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:39 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182286 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO4 |
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| Molecular Mass | 315.1471 |
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| SMILES | O=C(O)C1CCCN1CC(O)COc1ccc2ccccc2c1 |
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| InChI Key | YGTWCKVGTSHZTG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | proline and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalkyl aryl ethersalpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesnaphthalenesorganic oxidesorganopnictogen compoundsphenol etherspyrrolidine carboxylic acidssecondary alcoholstrialkylamines |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidamino acidalkyl aryl etherorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundproline or derivativesalcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholtertiary aliphatic aminemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesnaphthaleneorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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