| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:22 UTC |
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| Update Date | 2025-03-25 00:48:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165605 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22ClNO9 |
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| Molecular Mass | 419.0983 |
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| SMILES | CC(=O)NC1C(O)CC(Oc2cccc(Cl)c2)(C(=O)O)OC1C(O)C(O)CO |
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| InChI Key | FPMOCCGLXNFOGX-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 | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetamidesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesketalsmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenoxyacetic acid derivativesprimary alcoholspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxideacetalketalorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamidearyl chloridec-glucuronidechlorobenzenealcoholpyran carboxylic acid or derivativescarboxamide grouparyl halideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compound |
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