| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:09:24 UTC |
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| Update Date | 2025-03-25 00:35:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02084539 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | C=CC(=CC(C)=O)C(=O)O |
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| InChI Key | BSWJWLKMIGAGFF-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 | branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundscarboxylic acidsenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativebranched fatty acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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