| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:23 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156655 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O5S |
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| Molecular Mass | 228.0092 |
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| SMILES | O=C1CC(O)Oc2cc(S(=O)O)ccc21 |
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| InChI Key | MKKKEWZVKFCWMK-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzenoidshemiacetalshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | aryl alkyl ketonesulfinic acid derivativeorganosulfur compoundsulfinic acidketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhemiacetalhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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