| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11ClO5 |
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| Molecular Mass | 258.0295 |
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| SMILES | O=C(O)CC(O)(Cc1cccc(Cl)c1)C(=O)O |
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| InChI Key | QSSXBFMKNVAOPD-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 | alpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridestertiary alcohols |
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| Substituents | aryl chloridechlorobenzenealcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy acidhydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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