| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:09 UTC |
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| Update Date | 2025-03-25 00:46:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156135 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4 |
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| Molecular Mass | 220.0736 |
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| SMILES | CC(=O)CC(O)=C(C(=O)O)c1ccccc1 |
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| InChI Key | YTDBSHFWMQOWDK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
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| Substituents | beta-hydroxy ketonecarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidketonearomatic homomonocyclic compoundunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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