| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:00 UTC |
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| Update Date | 2025-03-25 00:52:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H46O3 |
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| Molecular Mass | 418.3447 |
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| SMILES | CCCCCCCCCCCCCCCCCCc1ccc(O)c(CCC(=O)O)c1 |
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| InChI Key | PQFHKNJPGWAWAX-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 | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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