| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:53 UTC |
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| Update Date | 2025-03-25 01:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246856 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4 |
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| Molecular Mass | 222.0892 |
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| SMILES | CCC(=O)C(O)(CC(=O)O)c1ccccc1 |
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| InChI Key | DNFBTGMGAQJKPK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesaromatic alcoholsbenzene and substituted derivativescarbocyclic fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholfatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidalcoholgamma-keto acidaromatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundketo acidacyloinhydrocarbon derivativebenzenoidorganooxygen compoundmedium-chain keto acid |
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