| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:25 UTC |
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| Update Date | 2025-03-25 00:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234238 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7ClO4 |
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| Molecular Mass | 214.0033 |
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| SMILES | COC(=O)c1cc2c(cc1Cl)OCO2 |
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| InChI Key | RKXZIKVSNSJMKQ-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsaryl chloridesbenzenoidshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganooxygen compoundsoxacyclic compoundsvinylogous halides |
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| Substituents | aryl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundvinylogous halidearyl halideoxacycleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundacetalaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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