| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:35 UTC |
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| Update Date | 2025-03-25 00:57:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225681 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N2O4 |
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| Molecular Mass | 318.158 |
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| SMILES | CC(C)(C)c1ccc(NCC2=C(C(=O)O)NC(C(=O)O)C2)cc1 |
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| InChI Key | ISNVDOQRPZVRAD-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 | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalkylaminesphenylpropanespyrroline 2-carboxylic acidssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidphenylpropaneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacyclepyrroline carboxylic acid or derivativessecondary aminepyrroline 2-carboxylic acidsecondary aliphatic/aromatic amineorganic oxygen compoundpyrrolinepyrroline carboxylic aciddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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