Record Information |
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HMDB Status | expected |
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Creation Date | 2024-02-20 23:50:48 UTC |
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Update Date | 2025-03-21 18:02:49 UTC |
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HMDB ID | HMDB0059721 |
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Metabolite Identification |
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DeepMet ID | DMID00040448 |
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Name | mono-Benzyl malonate |
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Frequency | 85.4 |
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Structure | |
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Chemical Formula | C10H10O4 |
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Molecular Mass | 194.0579 |
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SMILES | O=C(O)CC(=O)OCc1ccccc1 |
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InChI Key | CFLAHQSWDKNWPW-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 | carbonyl 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 derivativeorganooxygen compound |
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