| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:03 UTC |
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| Update Date | 2025-03-25 00:53:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16O4S |
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| Molecular Mass | 232.0769 |
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| SMILES | O=C(O)CCCC1C2CCC2CS1(=O)=O |
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| InChI Key | LDQIVVJVKUALDN-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 | thiepanes |
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| Subclass | thiepanes |
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| Direct Parent | thiepanes |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfonesthiolanes |
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| Substituents | thiolanefatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativealiphatic heteropolycyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthiepanehydrocarbon derivativeorganooxygen compoundsulfone |
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