| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:45 UTC |
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| Update Date | 2025-03-21 18:34:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099879 |
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| Frequency | 27.5 |
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| Structure | |
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| Chemical Formula | C13H16O4 |
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| Molecular Mass | 236.1049 |
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| SMILES | O=C(OC1CCOC1)C(CO)c1ccccc1 |
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| InChI Key | NITAGVXAHNMDJQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsprimary alcoholstetrahydrofurans |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativedialkyl etheroxacyclebeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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