| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162328 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | O=C(O)CCC(O)(CC(=O)Oc1ccccc1)C(=O)O |
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| InChI Key | WFFILOAMKUMIJE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsfatty acid estershydrocarbon derivativesorganic oxidesphenoxy compoundstertiary alcoholstricarboxylic acids and derivatives |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acidtricarboxylic acid or derivativeshydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid estertertiary alcoholorganic oxideorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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