| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:48 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219379 |
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| Frequency | 0.5 |
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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 | COc1cc(C(O)CO)ccc1OC1CC(O)C(N)C(C(=O)O)O1 |
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| InChI Key | XVGYLDDUIFGRAZ-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholspyran carboxylic acidssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundalkyl aryl etherpyran carboxylic acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesmethoxybenzenebeta amino acid or derivativesoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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