| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:08 UTC |
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| Update Date | 2025-03-25 00:53:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201591 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22O5S |
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| Molecular Mass | 314.1188 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)CCC(C)(CCS(=O)(=O)O)O2 |
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| InChI Key | UKWRPZSTDUKYEB-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 ethersbenzenoidshydrocarbon derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesether1-benzopyranorganosulfonic acidalkyl aryl etherorganosulfur compoundoxacycleorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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