| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:36 UTC |
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| Update Date | 2025-03-21 18:32:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092214 |
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| Frequency | 30.4 |
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| Structure | |
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| Chemical Formula | C20H28N2O6 |
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| Molecular Mass | 392.1947 |
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| SMILES | O=C(NC(Cc1ccccc1)C(O)CN1CCCC1C(=O)O)OC1CCOC1 |
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| InChI Key | OTEOHECJMJGWQU-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-aminoalcoholsalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundscarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminespyrrolidine carboxylic acidssecondary alcoholstetrahydrofuranstrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino aciddialkyl etherorganic oxidephenylbutylaminepyrrolidine carboxylic acidalpha-amino acidorganonitrogen compoundorganopnictogen compoundpyrrolidinetertiary amineorganoheterocyclic compoundamphetamine or derivativesproline or derivativesalcoholcarbonic acid derivativeazacyclen-alkylpyrrolidine1,2-aminoalcoholtetrahydrofurantertiary aliphatic aminecarbamic acid esteroxacyclemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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