| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:38 UTC |
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| Update Date | 2025-03-25 00:50:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182253 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H23NO9 |
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| Molecular Mass | 397.1373 |
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| SMILES | O=C(O)C1CCCN(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2)C1 |
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| InChI Key | HUQZQDIPMWSWGX-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 heteromonocyclic compounds |
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| Alternative Parents | acetalsamino acidsaniline and substituted anilinesazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesdicarboxylic acids and derivativesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpiperidinespiperidinecarboxylic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acido-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidoxanedialkylarylaminepiperidinetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleaniline or substituted anilineshydroxy acidoxacyclepyranphenylpiperidinesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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