| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:11 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067366 |
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| Frequency | 45.1 |
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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 | COC(=O)c1ccoc1 |
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| InChI Key | ZKHQSQYLKSSYIP-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 esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | furan-3-carboxylic acid estersheteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | furan-3-carboxylic acid esteraromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativefuran-3-carboxylic acid or derivativesorganooxygen compoundfuroic acid ester |
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