| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:06:22 UTC |
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| Update Date | 2025-03-24 19:53:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01072152 |
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| Frequency | 1.3 |
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| Structure | |
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| Chemical Formula | C7H12S |
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| Molecular Mass | 128.066 |
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| SMILES | C=CC[SH]=CC=CC |
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| InChI Key | LPYSSQXZFRJFJH-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 derivativesthioaldehydes |
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| Substituents | aliphatic acyclic compoundthioaldehydeallyl sulfur compoundhydrocarbon derivativealkylthiol |
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