| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:16 UTC |
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| Update Date | 2025-03-25 00:54:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208764 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO3S |
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| Molecular Mass | 227.0616 |
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| SMILES | CC(=O)c1ccc(CSCCC(N)=O)o1 |
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| InChI Key | ZOVMLBQFEZRSGY-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 ketonescarboxylic acids and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary carboxylic acid amidessulfenyl compounds |
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| Substituents | primary carboxylic acid amidecarbonyl grouparyl alkyl ketonearomatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compoundfuroic acid or derivativessulfenyl compounddialkylthioetherheteroaromatic compoundcarboxamide groupoxacycleorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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