Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:50:50 UTC |
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Update Date | 2025-03-21 18:02:49 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00040498 |
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Frequency | 85.3 |
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Structure | |
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Chemical Formula | C15H21NO9 |
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Molecular Mass | 359.1216 |
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SMILES | O=C(O)C(Cc1ccc(O)cc1)N(O)C1OC(CO)C(O)C(O)C1O |
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InChI Key | TXFHQGRZNLMYJV-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 acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalanine and derivativesphenylpropanoic acidsprimary alcoholssecondary alcohols |
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Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesalcoholtyrosine or derivativesn-organohydroxylamineoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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