| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:13 UTC |
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| Update Date | 2025-03-25 00:45:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5ClN2O4S |
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| Molecular Mass | 247.9659 |
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| SMILES | NS(=O)(=O)c1cc2[nH]c(=O)oc2cc1Cl |
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| InChI Key | HBNNNFQXIMNEMY-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 | benzoxazoles |
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| Subclass | benzoxazolones |
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| Direct Parent | benzoxazolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsoxazoles |
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| Substituents | organosulfonic acid or derivativesorganochlorideoxazoleorganosulfur compoundorganohalogen compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolearyl chloridecarbonic acid derivativeazacycleaminosulfonyl compoundheteroaromatic compoundbenzoxazolonearyl halideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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