| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221381 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14ClO10P |
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| Molecular Mass | 384.0013 |
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| SMILES | O=C(O)C1OC(OP(=O)(O)Oc2ccc(Cl)cc2)C(O)C(O)C1O |
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| InChI Key | OGEXFKFZYAJDSE-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 | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundorganochloridemonosaccharidecarboxylic acid derivativeorganohalogen compoundpyran carboxylic acidbeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compoundaryl chloridechlorobenzenealcoholpyran carboxylic acid or derivativeshydroxy acidaryl halideoxacyclemonocarboxylic acid or derivativesphosphoric acid esterpyranmonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganic phosphoric acid derivativealkyl phosphate |
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