| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:46 UTC |
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| Update Date | 2025-03-21 18:32:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092625 |
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| Frequency | 30.2 |
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| Structure | |
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| Chemical Formula | C9H12O3S |
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| Molecular Mass | 200.0507 |
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| SMILES | Cc1ccc(CSCCC(=O)O)o1 |
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| InChI Key | QQRSWMGAVAGLMC-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 | furans |
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| Subclass | furans |
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| Direct Parent | furans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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