| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:19 UTC |
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| Update Date | 2025-03-21 18:39:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127819 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C16H23NO10 |
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| Molecular Mass | 389.1322 |
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| SMILES | COc1cc(CC(C(=O)O)N(O)C2OC(CO)C(O)C(O)C2O)ccc1O |
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| InChI Key | FZMOREBLKJCJAQ-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 benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesn-organohydroxylaminesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethersaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholamphetamine or derivativesorganoheterocyclic compoundalcoholtyrosine or derivativesmethoxylated amphetaminemethoxybenzenen-organohydroxylamineoxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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