| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:20 UTC |
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| Update Date | 2025-03-21 18:28:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070132 |
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| Frequency | 42.9 |
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| Structure | |
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| Chemical Formula | C7H6O4 |
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| Molecular Mass | 154.0266 |
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| SMILES | O=C(O)CC(=O)c1ccco1 |
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| InChI Key | KWRQUQONMCVOMB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | furans |
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| Subclass | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | beta-hydroxy ketonecarbonyl groupfuroic acid or derivativescarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativebeta-keto acidketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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