| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:07 UTC |
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| Update Date | 2025-03-21 18:30:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081676 |
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| Frequency | 44.9 |
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| Structure | |
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| Chemical Formula | C11H11NO4S |
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| Molecular Mass | 253.0409 |
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| SMILES | COc1cc(CC2SC(=O)NC2=O)ccc1O |
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| InChI Key | UYCQOLAPUYKINQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdicarboximideshydrocarbon derivativesmethoxybenzenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativethiazolidinedioneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidethiolactoneorganoheterocyclic compoundcarbonic acid derivativeazacyclemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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