| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:37 UTC |
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| Update Date | 2025-03-21 18:29:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078083 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C9H16O2S2 |
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| Molecular Mass | 220.0592 |
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| SMILES | COC(=O)CCCCC1CCSS1 |
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| InChI Key | PVXPIJICTUHMAO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | dithiolanes |
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| Subclass | lipoic acids and derivatives |
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| Direct Parent | lipoic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-dithiolanescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic disulfidesorganic oxides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acid derivative1,2-dithiolanefatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundorganic disulfidecarboxylic acid esteraliphatic heteromonocyclic compoundhydrocarbon derivativelipoic_acid_derivativeorganooxygen compound |
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