| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:07 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13ClO5 |
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| Molecular Mass | 284.0452 |
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| SMILES | O=C(O)COc1ccc(CC2CCC(=O)O2)cc1Cl |
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| InChI Key | GEMXLCZESQBXPD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenoxyacetic acid derivatives |
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| Direct Parent | chlorophenoxyacetates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acid esterscarboxylic acidschlorobenzenesdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesorganic oxidesorganochloridesoxacyclic compoundsphenol ethersphenoxy compoundstetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundlactoneorganic oxideorganoheterocyclic compoundaryl chloridechlorobenzenetetrahydrofurangamma butyrolactonearyl halideoxacycleorganic oxygen compoundchlorophenoxyacetatecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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