| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:26 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4S |
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| Molecular Mass | 264.0456 |
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| SMILES | O=C(O)C1=CC2Oc3cc(O)ccc3CC2CS1 |
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| InChI Key | VYSXYLSIYLJNLF-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 | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsthioenol ethersthiopyrans |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherthiopyrancarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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