| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:21 UTC |
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| Update Date | 2025-03-21 18:39:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125468 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | CCC(CCC(C)=O)COC(=O)c1ccco1 |
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| InChI Key | HSEQZOYHGLNJNN-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 | carboxylic acid estersheteroaromatic compoundshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compoundfuroic acid ester |
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