| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:16 UTC |
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| Update Date | 2025-03-21 18:29:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079663 |
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| Frequency | 36.6 |
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| Structure | |
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| Chemical Formula | C18H20N2O8 |
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| Molecular Mass | 392.122 |
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| SMILES | CC(=O)NC1C(OC(=O)Cc2c[nH]c3ccccc23)OC(C(=O)O)C(O)C1O |
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| InChI Key | AIHGICWBXHHZTO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | n-acyl-alpha-hexosamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsacetamidesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidn-acyl-alpha-hexosaminebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidepyrancarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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