| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:18 UTC |
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| Update Date | 2025-03-21 18:41:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134745 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C13H18O5 |
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| Molecular Mass | 254.1154 |
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| SMILES | CCC(CCCC(=O)O)COC(=O)c1ccco1 |
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| InChI Key | WAVKNYMSJLXIQM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | branched fatty acidscarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfuroic acid estersheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesoxacyclic compounds |
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| Substituents | fatty acylfurancarbonyl groupfuroic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidheteroaromatic compoundfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidoxacycleorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compoundfuroic acid ester |
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