| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:11 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236036 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H12O3S |
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| Molecular Mass | 260.0507 |
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| SMILES | COc1ccc(C2CC(=O)c3ccsc3O2)cc1 |
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| InChI Key | HFPUDUTYKJEETQ-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 | thienopyrans |
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| Subclass | thienopyrans |
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| Direct Parent | thienopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundspyransthiophenes |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketoneheteroaromatic compoundthiophenealkyl aryl ethermethoxybenzeneketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundanisolepyranhydrocarbon derivativebenzenoidphenoxy compoundthienopyranorganooxygen compoundaryl ketone |
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