| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:27 UTC |
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| Update Date | 2025-03-25 00:46:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156827 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO10 |
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| Molecular Mass | 385.1009 |
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| SMILES | O=C(OC1OC(C(=O)O)C(O)C(O)C1O)C1CCc2cc(O)c(O)cc2N1 |
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| InChI Key | XFZWPAQAXCMIOS-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 | alpha-amino acyl ester of carbohydrates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalpha amino acidsamino acidsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativeshydroquinolinesmonosaccharideso-glucuronidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidglucuronic acid or derivativesamino acido-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxanetetrahydroquinolineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacyclehydroxy acidsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundpyrancarboxylic acid esteralpha-amino acyl ester of carbohydratesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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