| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:48 UTC |
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| Update Date | 2025-03-21 18:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030849 |
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| Frequency | 120.2 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | COc1coc(C(=O)O)c1 |
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| InChI Key | VPXOEJQDBKBIBP-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 acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl aryl etherscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | ethercarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundalkyl aryl ethercarboxylic acid derivativefuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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