| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:23 UTC |
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| Update Date | 2025-03-25 00:59:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238689 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5S |
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| Molecular Mass | 242.0249 |
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| SMILES | O=C(O)C1CCc2ccc(S(=O)(=O)O)cc21 |
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| InChI Key | XVCQUNPUUXJOTE-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativescarbonyl groupcarboxylic acid1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesindanehydrocarbon derivativeorganooxygen compound |
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