| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:45 UTC |
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| Update Date | 2025-03-21 18:06:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066337 |
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| Frequency | 46.0 |
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| Structure | |
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| Chemical Formula | C17H19NO9 |
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| Molecular Mass | 381.106 |
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| SMILES | O=C(C=Cc1ccccc1)NCC(=O)OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | JSMHFPHKVFJFKD-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 | acyl glycines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsalpha-amino acyl ester of carbohydratesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscinnamic acids and derivativesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharideso-glucuronidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidecinnamic acid or derivativesbeta-hydroxy acidsaccharideorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesalpha-amino acid esterhydroxy acidcarboxamide groupn-acylglycineoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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