| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:33 UTC |
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| Update Date | 2025-03-25 00:50:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182040 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21Cl2NO7 |
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| Molecular Mass | 409.0695 |
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| SMILES | O=C(O)C1OC(Oc2ccc(N(CCCl)CCCl)cc2)C(O)C(O)C1O |
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| InChI Key | FKAKYXAWOQIXGQ-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 | acetalsalkyl chloridesamino acidsaniline and substituted anilinesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylarylaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesnitrogen mustard compoundsorganic oxidesorganochloridesorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidalkyl chlorideorganochlorideo-glucuronidemonosaccharidenitrogen mustardcarboxylic acid derivativeorganohalogen compoundpyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaltertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundalkyl halideoxanedialkylarylaminetertiary amineorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaniline or substituted anilineshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamine |
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