| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:08 UTC |
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| Update Date | 2025-03-25 00:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO2S |
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| Molecular Mass | 199.0667 |
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| SMILES | CSCCC(N)C(=O)c1ccco1 |
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| InChI Key | GPWUWCVYQCLGCQ-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 | aryl alkyl ketonesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furoic acid or derivativesaryl alkyl ketonesulfenyl compoundaromatic heteromonocyclic compounddialkylthioetherheteroaromatic compoundorganosulfur compoundketoneoxacycleorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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