| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:55 UTC |
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| Update Date | 2025-03-25 00:55:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210306 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H19ClNO11P |
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| Molecular Mass | 407.0384 |
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| SMILES | CC(=O)NC1C(Cl)CC(O)(C(=O)O)OC1C(O)C(O)COP(=O)(O)O |
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| InChI Key | WTHSIJWEVLSVJX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsacetamidesalkyl chloridesalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidalkyl chlorideorganochloridealpha-hydroxy acidcarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalalkyl halideoxaneorganoheterocyclic compoundacetamide1,2-diolc-glucuronidealcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativesphosphoric acid esterpyranmonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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