| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:31 UTC |
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| Update Date | 2025-03-21 18:35:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106713 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C15H19ClO4 |
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| Molecular Mass | 298.0972 |
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| SMILES | CC1C(Oc2cccc(Cl)c2)OC(C(=O)O)C(C)C1C |
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| InChI Key | JELUELSFDSJSRV-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 | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxanesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compoundorganic oxideacetaloxanearyl chloridechlorobenzenepyran carboxylic acid or derivativesaryl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidhalobenzenephenoxy compoundorganooxygen compound |
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