| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201585 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21NO8 |
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| Molecular Mass | 355.1267 |
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| SMILES | COC1OC(C(=O)NC(Cc2ccccc2)C(=O)O)C(O)C(O)C1O |
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| InChI Key | LDQAMJIFKVDXLW-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 | acetalsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanoic acidspyran carboxylic acidspyranssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidesaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholpyran carboxylic acid or derivativesn-acyl-alpha-amino acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundpyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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