| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:34 UTC |
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| Update Date | 2025-03-25 00:47:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163739 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6S |
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| Molecular Mass | 272.0355 |
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| SMILES | CC1(C)CC(=O)c2c(O)cc(OS(=O)O)cc2O1 |
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| InChI Key | ULQIJRJCERUWFF-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzenoidschromoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | etheraryl alkyl ketone2,2-dimethyl-1-benzopyran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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