| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:28 UTC |
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| Update Date | 2025-03-25 00:51:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188711 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O5 |
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| Molecular Mass | 252.0998 |
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| SMILES | CC(OC(=O)CCC(=O)O)C(O)c1ccccc1 |
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| InChI Key | MWPRSRKWZVUCJY-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 | benzene and substituted derivatives |
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| Subclass | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholfatty acylcarbonyl groupcarboxylic acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundfatty acid esterorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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