| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:12 UTC |
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| Update Date | 2025-03-25 00:55:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211003 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N2O7 |
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| Molecular Mass | 350.1114 |
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| SMILES | CC(=O)NC1C(C(=O)O)OC(Oc2ccc3[nH]ccc3c2)C(O)C1O |
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| InChI Key | VYCZVNQNIJEAHS-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsacetalsacetamidesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidglucuronic acid or derivativesindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundacetamide1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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