| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:08 UTC |
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| Update Date | 2025-03-21 18:37:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117970 |
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| Frequency | 22.2 |
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| Structure | |
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| Chemical Formula | C17H16N2O7 |
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| Molecular Mass | 360.0958 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)[nH]c2cnccc23)C(O)C(O)C1O |
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| InChI Key | ALYRXPOGUIPOHD-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 | o-glucuronides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbeta carbolinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspolyhalopyridinespyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindolepolyhalopyridineo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxypyridineindole or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyridinepyranpyrrolesecondary alcoholbeta-carbolinehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridoindole |
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