| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:35 UTC |
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| Update Date | 2025-03-21 18:35:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106876 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C15H18N2O5 |
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| Molecular Mass | 306.1216 |
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| SMILES | O=C(O)CCC(NCCc1c[nH]c2ccc(O)cc12)C(=O)O |
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| InChI Key | DPWFPBXBOCBICY-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesorganic oxidesorganopnictogen compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidamino acidindole1-hydroxy-2-unsubstituted benzenoidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleheteroaromatic compoundindole or derivativesglutamic acid or derivativessecondary amineorganic oxygen compoundpyrroledicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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