| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:12 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7ClO2 |
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| Molecular Mass | 158.0135 |
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| SMILES | Cc1ccc(C(=O)CCl)o1 |
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| InChI Key | YEHJEWOPQMOFSP-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 | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-chloroketonesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsoxacyclic compounds |
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| Substituents | furoic acid or derivativesaryl alkyl ketonearomatic heteromonocyclic compoundalkyl chlorideorganochlorideheteroaromatic compoundorganohalogen compoundalpha-chloroketoneketoneoxacycleorganic oxideorganic oxygen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compoundaryl ketone |
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