| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:14 UTC |
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| Update Date | 2025-03-21 18:00:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029517 |
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| Frequency | 126.5 |
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| Structure | |
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| Chemical Formula | C18H17NO8 |
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| Molecular Mass | 375.0954 |
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| SMILES | O=C(O)C1OC(Oc2ccc3c(c2)[nH]c2cc(O)ccc23)C(O)C(O)C1O |
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| InChI Key | HAKHYNDTFSNNFY-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbazolescarbonyl compoundscarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol etherspyran carboxylic acidspyrrolessecondary alcohols |
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| Substituents | phenol ethercarbonyl groupcarboxylic acidindoleo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundindole or derivativeshydroxy acidcarbazoleoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compound |
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