| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:52 UTC |
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| Update Date | 2025-03-25 00:49:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173564 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O4S |
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| Molecular Mass | 256.0769 |
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| SMILES | CCC(CCC(=O)O)COC(=O)c1ccsc1 |
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| InChI Key | LBZMYCDTUBYKTA-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 derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesthiophene carboxylic acids and derivatives |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundheterocyclic fatty acidheteroaromatic compoundfatty acidthiophenecarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidthiophene carboxylic acid or derivativesorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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