| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:39 UTC |
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| Update Date | 2025-03-25 01:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250888 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O7 |
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| Molecular Mass | 310.1053 |
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| SMILES | O=C(O)CCc1cc(CCC(=O)O)c(O)c(CCC(=O)O)c1 |
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| InChI Key | FXDGWOGEKJDEEE-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 | benzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesphenolstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidtricarboxylic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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