| 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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