| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:10:17 UTC |
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| Update Date | 2025-03-21 20:49:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00367309 |
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| Frequency | 5.1 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | Cc1coc(C)c1C(=O)O |
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| InChI Key | JFXXYKVSLHRBAA-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 | 1-carboxy-2-haloaromatic compoundsfuran-3-carboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | furan-3-carboxylic acidcarboxylic acidaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativefuroic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundfuran-3-carboxylic acid or derivativesorganooxygen compound |
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