| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:49 UTC |
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| Update Date | 2025-03-25 01:01:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8O4S |
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| Molecular Mass | 260.0143 |
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| SMILES | O=c1oc2ccc(S(=O)O)cc2c2ccccc12 |
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| InChI Key | CKTFJFQODMTBCY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | coumarins and derivatives |
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| Subclass | coumarins and derivatives |
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| Direct Parent | coumarins and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans2-benzopyransbenzenoidsheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesorganic oxidesorganooxygen compoundsorganosulfur compoundsoxacyclic compoundspyranones and derivativessulfinic acids |
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| Substituents | benzopyran1-benzopyransulfinic acid derivativeheteroaromatic compoundorganosulfur compoundisocoumarincoumarinsulfinic acidlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyran2-benzopyranpyranonehydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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