| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:02 UTC |
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| Update Date | 2025-03-25 00:50:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9ClO3S |
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| Molecular Mass | 231.9961 |
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| SMILES | O=S(=O)(O)c1cc2c(cc1Cl)CCC2 |
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| InChI Key | DODPBMGDQHFNIQ-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 compoundsaryl chloridesarylsulfonic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganosulfonic acidssulfonyls |
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| Substituents | aryl chlorideorganosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganochlorideorganosulfonic acidaromatic homopolycyclic compoundorganosulfur compoundorganohalogen compoundaryl halideorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesindanehydrocarbon derivative |
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