| 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 00:50:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H11ClO4 |
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| Molecular Mass | 194.0346 |
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| SMILES | O=C(O)C1CCC(O)C(CCl)O1 |
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| InChI Key | VIFFYOHGAUURPL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidpyran carboxylic acid or derivativesalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compounddialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholalkyl halidehydrocarbon derivativeoxaneorganooxygen compound |
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