| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:09 UTC |
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| Update Date | 2025-03-21 18:38:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120335 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C13H20O4 |
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| Molecular Mass | 240.1362 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccco1 |
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| InChI Key | QMOHVVFVYRYPSG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty alcohols |
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| Direct Parent | fatty alcohols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carboxylic acid estersfuroic acid estersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
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| Substituents | alcoholfuranfuroic acid or derivativesaromatic heteromonocyclic compoundheteroaromatic compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundfuroic acid ester |
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