| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:20 UTC |
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| Update Date | 2025-03-25 00:45:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149545 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H11NO4S |
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| Molecular Mass | 277.0409 |
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| SMILES | O=C(O)CCc1ccccc1C=C1SC(=O)NC1=O |
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| InChI Key | FPXALJUEWGRSLQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativecarboxylic acidaromatic heteromonocyclic compoundazacycle3-phenylpropanoic-acidcarboxylic acid derivativethiazolidinedioneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoiddicarboximideorganic nitrogen compoundthiolactoneorganoheterocyclic compoundorganooxygen compoundthiazolidine |
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