| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:43 UTC |
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| Update Date | 2025-03-25 00:49:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175519 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16N2O5 |
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| Molecular Mass | 292.1059 |
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| SMILES | O=C(O)C(Cc1ccc(O)cc1)N=C1CCC(C(=O)O)N1 |
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| InChI Key | KSASPDWFAJOBSL-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamidinesamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesimidolactamsorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidsproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidamidinepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineimidolactamorganoheterocyclic compoundamphetamine or derivativesproline or derivativestyrosine or derivativesazacycleorganic 1,3-dipolar compoundcarboximidamidepyrrolidine carboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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