| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:31 UTC |
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| Update Date | 2025-03-25 00:54:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O4S |
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| Molecular Mass | 242.0613 |
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| SMILES | CC1(C)CCc2c(cccc2S(=O)(=O)O)O1 |
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| InChI Key | ADJAXGXXXLCLHD-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 | 2,2-dimethyl-1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsalkyl aryl ethersarylsulfonic acids and derivativesbenzenoidshydrocarbon derivativesorganic oxidesorganosulfonic acidsoxacyclic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesether1-sulfo,2-unsubstituted aromatic compound2,2-dimethyl-1-benzopyranorganosulfonic acidalkyl aryl etherorganosulfur compoundoxacycleorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesaromatic heteropolycyclic compoundorganic sulfonic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compound |
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