| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:09 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O5S |
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| Molecular Mass | 222.0562 |
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| SMILES | O=C(O)CCSCCC(O)CC(=O)O |
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| InChI Key | FELCPAKWGYUQMY-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativessulfenyl compounds |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidsulfenyl compounddialkylthioetherfatty acidorganosulfur compoundcarboxylic acid derivativebeta-hydroxy acidorganic oxideorganic oxygen compoundthioethersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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