| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:49 UTC |
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| Update Date | 2025-03-25 00:49:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175761 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H23NO6S |
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| Molecular Mass | 393.1246 |
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| SMILES | CC1C(Oc2ccc(CC3SC(=O)NC3=O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | HBGNAZGFJHRJEC-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 | pyrans |
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| Subclass | pyran carboxylic acids and derivatives |
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| Direct Parent | pyran carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativethiazolidinedioneorganic oxideacetalorganonitrogen compoundorganopnictogen compounddicarboximideoxanethiolactonecarbonic acid derivativepyran carboxylic acid or derivativesazacycleoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundthiazolidine |
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