| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177835 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19O6P |
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| Molecular Mass | 302.0919 |
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| SMILES | Cc1ccc(C)c(CCC(=O)O)c1CCOP(=O)(O)O |
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| InChI Key | TUQONUCJCQXCGH-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 oxidesp-xylenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativearomatic homomonocyclic compoundxyleneorganic oxidemonocarboxylic acid or derivativesp-xyleneorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativebenzenoidorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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