| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:13 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233798 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O6S |
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| Molecular Mass | 298.0511 |
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| SMILES | CC1(CCC(=O)O)C=Cc2c(cc(O)cc2S(=O)O)O1 |
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| InChI Key | GNJQLDAFTYZTSU-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 oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | carbonyl groupethercarboxylic acid1-benzopyransulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundcarboxylic acid derivativesulfinic acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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