| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154839 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O7 |
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| Molecular Mass | 379.138 |
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| SMILES | COc1ccc(C(CNC(N)=O)C2(O)C=C(C(=O)O)NC(C(=O)O)C2)cc1 |
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| InChI Key | LNCLQTDDFLWZBP-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundstertiary alcoholstetrahydropyridines |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acidalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundalcoholsecondary aliphatic aminecarbonic acid derivativeazacycletetrahydropyridinesecondary aminemethoxybenzenetertiary alcoholorganic oxygen compoundanisoledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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