| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:56 UTC |
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| Update Date | 2025-03-21 18:39:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124468 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C18H26N2O6 |
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| Molecular Mass | 366.1791 |
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| SMILES | CN(CC(=O)O)CC(O)C(Cc1ccccc1)NC(=O)OC1CCOC1 |
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| InChI Key | LJDTUEIVNHMJSN-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 | 1,2-aminoalcoholsalpha amino acidsamino acidsamphetamines and derivativescarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetrahydrofuranstrialkylamines |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativedialkyl etherorganic oxidephenylbutylaminealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativesalcoholcarbonic acid derivative1,2-aminoalcoholtetrahydrofurantertiary aliphatic aminecarbamic acid esteroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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