| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:18 UTC |
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| Update Date | 2025-03-21 18:40:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00130157 |
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| Frequency | 19.5 |
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| Structure | |
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| Chemical Formula | C12H12O5 |
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| Molecular Mass | 236.0685 |
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| SMILES | CC(C)C(=O)OC(=O)c1ccccc1C(=O)O |
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| InChI Key | JHIJUDPMMJLTHB-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 compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acid anhydrideshydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid anhydridehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidorganooxygen compound |
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