| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:34 UTC |
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| Update Date | 2025-03-21 18:29:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00080397 |
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| Frequency | 36.2 |
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| Structure | |
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| Chemical Formula | C17H23N3O5 |
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| Molecular Mass | 349.1638 |
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| SMILES | COc1ccc(C2NC(=O)N(CCN(C)C)C(=O)C2OC(C)=O)cc1 |
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| InChI Key | BBZGPMHYURBJRO-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acid estersdiazinanesdicarboximideshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundspyrimidonestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundpyrimidonealkyl aryl etherpyrimidine1,3-diazinaneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximideureidetertiary amineorganoheterocyclic compoundn-acyl ureacarbonic acid derivativeazacycletertiary aliphatic aminemethoxybenzenebeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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