| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:22 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250252 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4S |
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| Molecular Mass | 215.0252 |
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| SMILES | O=C(c1ccco1)N1CCS(=O)(=O)C1 |
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| InChI Key | DUPWBBJVMQRWFH-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 | 2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundssulfonestertiary carboxylic acid amidesthiazolidines |
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| Substituents | furoic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamideoxacycleorganic oxideorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfonethiazolidine |
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