| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:47:56 UTC |
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| Update Date | 2025-03-21 22:57:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00599422 |
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| Frequency | 2.7 |
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| Structure | |
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| Chemical Formula | C6H6O3 |
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| Molecular Mass | 126.0317 |
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| SMILES | O=COCc1ccco1 |
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| InChI Key | FPRQARNPKWVCNI-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 | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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