| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:13 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224923 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27N3O9 |
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| Molecular Mass | 441.1747 |
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| SMILES | NCCCCNc1ccc(C(=O)NCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | GXAYPZWGONRYTL-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 carbohydratesamino acidsbenzoyl derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshippuric acids and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminespyran carboxylic acidssecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarboxylic acidbenzoylo-glucuronidemonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideacetalorganonitrogen compoundalpha-amino acidoxaneorganoheterocyclic compoundalcoholalpha-amino acid estern-acylglycinesecondary aliphatic/aromatic aminesecondary carboxylic acid amidecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeprimary aliphatic amineaminecarbonyl groupglucuronic acid or derivativesaromatic heteromonocyclic compoundamino acidbenzamideorganic oxideorganopnictogen compoundpyran carboxylic acid or derivativeshippuric acid or derivativesbenzoic acid or derivativeshydroxy acidsecondary aminecarboxamide groupoxacycleorganic oxygen compoundpyranalpha-amino acyl ester of carbohydratesecondary alcoholphenylalkylaminebenzenoidorganic nitrogen compoundorganooxygen compound |
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