| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:47 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064018 |
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| Frequency | 48.1 |
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| Structure | |
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| Chemical Formula | C15H22N2O6 |
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| Molecular Mass | 326.1478 |
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| SMILES | NC(Cc1ccccc1)C(=O)NC1OC(CO)C(O)C(O)C1O |
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| InChI Key | MWWBCWBFKIOSQP-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 acid amidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesfatty acyl glycosidesfatty amideshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundfatty amidemonosaccharidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundamphetamine or derivativesalcoholalpha-amino acid amidefatty n-acyl glycosidecarboxamide groupoxacyclesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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