| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:58 UTC |
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| Update Date | 2025-03-21 18:04:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052729 |
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| Frequency | 61.6 |
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| Structure | |
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| Chemical Formula | C11H9Cl3O4 |
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| Molecular Mass | 309.9566 |
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| SMILES | CC(=O)OC(c1ccccc1C(=O)O)C(Cl)(Cl)Cl |
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| InChI Key | SUXJWFDAQHDEGZ-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acidalkyl chlorideorganochloridebenzoylbenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativesalkyl halidehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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