| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:00 UTC |
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| Update Date | 2025-03-25 00:57:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10Cl2O3 |
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| Molecular Mass | 248.0007 |
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| SMILES | O=C(O)C(CO)Cc1cc(Cl)ccc1Cl |
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| InChI Key | IBJAASUXBXPFMN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesprimary alcohols |
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| Substituents | aryl chloridechlorobenzenealcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid1,4-dichlorobenzene3-phenylpropanoic-acidorganochloridehydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzeneprimary alcoholorganooxygen compound |
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