| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:24 UTC |
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| Update Date | 2025-03-25 00:55:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211494 |
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| Frequency | 0.5 |
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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)OC1C(N=C(O)Cc2c[nH]c3ccccc23)OC(C(=O)O)C(O)C1O |
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| InChI Key | BSQQEJNQNPRBTG-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-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboximidic acidscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | carboximidic acidcarbonyl groupcarboxylic acidindolemonosaccharidecarboxylic acid derivativepyran carboxylic acidn-glucuronidepropargyl-type 1,3-dipolar organic compoundbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compound1,2-diolalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundhydroxy acidoxacyclepyrancarboxylic acid esterpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compound |
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