| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:40 UTC |
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| Update Date | 2025-03-25 00:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219087 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O7S |
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| Molecular Mass | 352.0617 |
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| SMILES | COc1ccc(C2Cc3cc(O)c(OC)cc3S(=O)(=O)O2)cc1O |
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| InChI Key | NVZYTMLSZCVYMI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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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 ethersanisolesbenzoxathiinshydrocarbon derivativesmethoxybenzenesorganic oxidesorganosulfonic acid estersoxacyclic compoundsoxathiinsphenoxy compounds |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ether1,2-oxathiinorganic oxidearomatic heteropolycyclic compoundorganoheterocyclic compound1,2-benzooxathiin1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneorganosulfonic acid esteroxacycleorganic oxygen compoundorganic sulfonic acid or derivativesanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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