| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:20 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179275 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14O6S |
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| Molecular Mass | 322.0511 |
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| SMILES | COc1ccc(C2OCc3c(cc(O)cc3S(=O)O)O2)cc1 |
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| InChI Key | KUURWFQUYNKGJX-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 | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzodioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzo-1,3-dioxaneshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenylbenzodioxanephenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundmethoxybenzenebenzo-1,3-dioxanesulfinic acidoxacycleorganic oxideorganic oxygen compoundacetalaromatic heteropolycyclic compoundanisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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