| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:29 UTC |
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| Update Date | 2025-03-21 17:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023111 |
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| Frequency | 170.7 |
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| Structure | |
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| Chemical Formula | C15H21NO8 |
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| Molecular Mass | 343.1267 |
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| SMILES | O=C(O)C(Cc1ccccc1)N(O)C1OC(CO)C(O)C(O)C1O |
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| InChI Key | LRIAXFYOGIIDCG-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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanoic acidsprimary alcoholssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesalcoholn-organohydroxylamineoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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