| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:35:55 UTC |
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| Update Date | 2025-03-24 17:53:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01000426 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C6H12S |
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| Molecular Mass | 116.066 |
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| SMILES | C=CC[SH](C)C=C |
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| InChI Key | DTNNAVQZECVGMX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | allyl sulfur compounds |
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| Subclass | allyl sulfur compounds |
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| Direct Parent | allyl sulfur compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkylthiolshydrocarbon derivatives |
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| Substituents | aliphatic acyclic compoundallyl sulfur compoundhydrocarbon derivativealkylthiol |
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