| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:33 UTC |
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| Update Date | 2025-03-25 01:01:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO3S |
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| Molecular Mass | 315.0929 |
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| SMILES | O=C(O)C(O)CNC1Cc2ccccc2Sc2ccccc21 |
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| InChI Key | GXYJBACQMKOILY-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 | benzothiepins |
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| Subclass | dibenzothiepins |
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| Direct Parent | dibenzothiepins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesamino acidsbenzenoidsbeta amino acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesdiarylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy acidmonosaccharidecarboxylic acid derivativearyl thioethersaccharideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compounddibenzothiepinorganopnictogen compounddiarylthioetheralcoholsecondary aliphatic aminehydroxy acidsecondary aminebeta amino acid or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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