| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:02 UTC |
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| Update Date | 2025-03-21 18:34:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103073 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C15H21NO7 |
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| Molecular Mass | 327.1318 |
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| SMILES | O=C(O)C(Cc1ccccc1)NC1C(O)OC(CO)C(O)C1O |
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| InChI Key | KITPEGIKTCSCRH-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 | alpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdialkylamineshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanoic acidsprimary alcoholssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesalcoholsecondary aliphatic aminesecondary amineoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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