| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:57 UTC |
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| Update Date | 2025-03-25 00:57:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222043 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O4S |
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| Molecular Mass | 264.0456 |
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| SMILES | Oc1cc(O)c2c(c1)OC(c1cccs1)C(O)C2 |
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| InChI Key | IIEVJAPJJAAXOC-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 | 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 ethersbenzenoidsheteroaromatic compoundshydrocarbon derivativesoxacyclic compoundssecondary alcoholsthiophenes |
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| Substituents | alcoholether1-benzopyranheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidthiophene1-hydroxy-4-unsubstituted benzenoidalkyl aryl etheroxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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