| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:09 UTC |
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| Update Date | 2025-03-25 00:59:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235965 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H9NO4S |
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| Molecular Mass | 251.0252 |
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| SMILES | COc1cc(O)ccc1C=C1SC(=O)NC1=O |
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| InChI Key | VESGBWCBYXZTMM-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 compoundmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativethiazolidinedioneorganic oxideorganonitrogen compoundorganopnictogen compounddicarboximidethiolactoneorganoheterocyclic compoundcarbonic acid derivativeazacyclemethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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