| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:59 UTC |
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| Update Date | 2025-03-25 00:46:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157961 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H7NO3S2 |
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| Molecular Mass | 252.9867 |
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| SMILES | O=C(O)Cn1c(=S)sc2ccccc2c1=O |
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| InChI Key | YOSPRPWVFQZIAQ-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 | benzothiazines |
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| Subclass | benzothiazines |
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| Direct Parent | benzothiazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidazacycleheteroaromatic compoundbenzothiazinealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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