| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:44 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 | DMID02221573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14Cl2O4 |
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| Molecular Mass | 304.0269 |
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| SMILES | O=C(O)CC1(O)CCC(c2ccc(Cl)c(Cl)c2)OC1 |
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| InChI Key | BPUTUIRSXZQQAQ-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compoundsoxanestertiary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compounddialkyl etherorganic oxide1,2-dichlorobenzeneoxaneorganoheterocyclic compoundaryl chloridealcoholaryl halideoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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