| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:45 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159663 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10O5S |
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| Molecular Mass | 302.0249 |
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| SMILES | O=c1cc(-c2ccc(O)cc2)oc2cccc(S(=O)O)c12 |
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| InChI Key | IQFCWKHOJGAXSJ-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 | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 4'-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativeschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundsoxacyclic compoundspyranones and derivativessulfinic acids |
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| Substituents | monocyclic benzene moietybenzopyran1-benzopyransulfinic acid derivativeheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundpyranpyranone4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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