| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:09 UTC |
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| Update Date | 2025-03-21 18:36:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110730 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C18H24O6 |
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| Molecular Mass | 336.1573 |
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| SMILES | CCC(CCCC(=O)O)COC(=O)c1ccccc1CCC(=O)O |
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| InChI Key | YFYVSOAFNXZJIK-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 | benzoic acid estersbenzoyl derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidshydrocarbon derivativesorganic oxidestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidbenzoylbenzoic acid or derivativestricarboxylic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compound |
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