| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:38 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 | DMID02250866 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6 |
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| Molecular Mass | 240.0634 |
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| SMILES | O=C(O)CC(O)(C(=O)O)c1ccc(CO)cc1 |
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| InChI Key | IRLGKLSYRAASSL-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 | alpha hydroxy acids and derivativesaromatic alcoholsbenzyl alcoholscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalpha-hydroxy acidhydroxy acidbenzyl alcoholcarboxylic acid derivativearomatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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