| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:06 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O4S |
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| Molecular Mass | 310.1239 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CSCC(=O)O)O2 |
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| InChI Key | AGHTZBZAGXONCD-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | carbonyl groupethercarboxylic acidsulfenyl compound1-benzopyrandialkylthioetheralkyl aryl etherorganosulfur compoundcarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compound |
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