| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:59 UTC |
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| Update Date | 2025-03-25 00:47:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162411 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H18O3S2 |
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| Molecular Mass | 262.0697 |
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| SMILES | O=C(O)CC(=O)CCCCCC1CCSS1 |
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| InChI Key | OOYUAVCQFFVIAY-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsfatty acylsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonecarbonyl groupcarboxylic acidheterocyclic fatty acidcarboxylic acid derivative1,2-dithiolanebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compounddithiolaneorganic disulfidealiphatic heteromonocyclic compoundhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compoundmedium-chain keto acid |
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