| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:30 UTC |
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| Update Date | 2025-03-21 18:00:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027836 |
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| Frequency | 135.8 |
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| Structure | |
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| Chemical Formula | C6H4O4 |
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| Molecular Mass | 140.011 |
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| SMILES | O=C(O)C(=O)c1ccco1 |
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| InChI Key | IXVPCJUAKDVYKX-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 | alpha-keto acids and derivativesaryl ketonescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupfuroic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativeorganooxygen compoundaryl ketone |
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