| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:09 UTC |
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| Update Date | 2025-03-21 18:07:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067274 |
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| Frequency | 45.2 |
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| Structure | |
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| Chemical Formula | C7H8O2S |
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| Molecular Mass | 156.0245 |
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| SMILES | CSc1ccc(C(C)=O)o1 |
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| InChI Key | UBHGZFIQWAMUQC-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 | furoic acid and derivatives |
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| Direct Parent | furoic acid and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkylarylthioethersaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furoic acid or derivativesaryl alkyl ketonesulfenyl compoundaromatic heteromonocyclic compoundheteroaromatic compoundalkylarylthioetherorganosulfur compoundaryl thioetherketoneoxacycleorganic oxideorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compoundaryl ketone |
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