| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:37 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154971 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3S |
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| Molecular Mass | 240.082 |
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| SMILES | Cc1cc2c(cc1S(=O)O)CCC(C)(C)O2 |
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| InChI Key | NTZNFGLKEHCPRU-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 | alkyl aryl ethersbenzenoidshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | ether2,2-dimethyl-1-benzopyransulfinic acid derivativealkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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