| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:43 UTC |
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| Update Date | 2025-03-21 18:29:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075858 |
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| Frequency | 38.9 |
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| Structure | |
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| Chemical Formula | C11H12O4 |
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| Molecular Mass | 208.0736 |
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| SMILES | CC(C(=O)O)C(=O)OCc1ccccc1 |
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| InChI Key | IYIRAAHCJRLEQZ-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 | 1,3-dicarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxides |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compound |
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