| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:04 UTC |
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| Update Date | 2025-03-21 18:33:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095774 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C18H18N2O8 |
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| Molecular Mass | 390.1063 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2cc(O)ccc2O)C(=O)O)CC(C(=O)O)N1 |
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| InChI Key | KLBZVVKEBWJSLU-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaldiminesalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativeshydroquinonesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundstetrahydropyridinestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidimine1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativessecondary aliphatic amineazacycletetrahydropyridineorganic 1,3-dipolar compoundsecondary aminehydroquinonephenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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