| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201796 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15O6P |
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| Molecular Mass | 274.0606 |
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| SMILES | Cc1ccc(CC(OP(=O)(O)O)C(=O)O)c(C)c1 |
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| InChI Key | LUWFVBHEVJEATM-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesm-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidm-xylenecarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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