| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:08 UTC |
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| Update Date | 2025-03-25 00:59:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240420 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO7 |
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| Molecular Mass | 325.1162 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)OC1CC(O)(C(=O)O)CC1O |
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| InChI Key | ILYJXWGCONLQDV-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsalpha hydroxy acids and derivativesamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativescyclopentanolsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativestertiary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholtyrosine or derivativesalpha-amino acid estercyclitol or derivativeshydroxy acidcyclic alcoholcyclopentanolaromatic homomonocyclic compoundfatty acid estertertiary alcoholphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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