| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:08 UTC |
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| Update Date | 2025-03-25 00:55:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO2S |
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| Molecular Mass | 259.0667 |
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| SMILES | CN1Cc2cc(O)c(O)cc2Sc2ccccc21 |
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| InChI Key | QAOIULXMIWEEHP-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 | benzothiazepines |
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| Subclass | dibenzothiazepines |
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| Direct Parent | dibenzothiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzenoidsdialkylarylaminesdiarylthioethershydrocarbon derivativesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | azacycle1-hydroxy-2-unsubstituted benzenoidaryl thioetheraralkylaminedibenzothiazepineorganic oxygen compoundaromatic heteropolycyclic compoundthioethertertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddialkylarylamineaminetertiary amineorganooxygen compounddiarylthioether |
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