| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:31 UTC |
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| Update Date | 2025-03-25 01:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252830 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H24N2O3S |
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| Molecular Mass | 372.1508 |
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| SMILES | NC(CCCCNCC1(O)c2ccccc2Sc2ccccc21)C(=O)O |
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| InChI Key | VXKIHVJZTGOCIK-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 | benzothiopyrans |
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| Subclass | 1-benzothiopyrans |
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| Direct Parent | thioxanthenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesdiarylthioethersheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstertiary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativemedium-chain hydroxy acidaryl thioetherthioxantheneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidhydroxy fatty aciddiarylthioetheralcoholsecondary aliphatic aminesecondary aminetertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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