| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:32 UTC |
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| Update Date | 2025-03-21 17:56:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002705 |
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| Frequency | 2225.3 |
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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 | COC(=O)c1ccc(C)o1 |
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| InChI Key | XBYZJUMTKHUJIY-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 | heteroaromatic compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compoundfuroic acid ester |
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