| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:32 UTC |
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| Update Date | 2025-03-21 18:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032625 |
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| Frequency | 111.8 |
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| Structure | |
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| Chemical Formula | C9H9ClO3 |
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| Molecular Mass | 200.024 |
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| SMILES | O=C(O)CC(O)c1cccc(Cl)c1 |
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| InChI Key | SUGIWOQOKKWXRH-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 | aromatic alcoholsaryl chloridesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridessecondary alcohols |
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| Substituents | aromatic alcoholaryl chloridechlorobenzenealcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridehydroxy acidcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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