| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:58 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187589 |
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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 | CC(C)(C)c1cccc(C(=O)C(=O)O)c1O |
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| InChI Key | RKOHVPUCCQELAX-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsalpha-keto acids and derivativesaryl ketonesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesvinylogous acids |
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| Substituents | carbonyl groupcarboxylic acidbenzoyl1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidphenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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