| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:07 UTC |
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| Update Date | 2025-03-21 18:40:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129714 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C17H18O6S |
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| Molecular Mass | 350.0824 |
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| SMILES | COc1ccc(C2Cc3cc(O)cc(S(=O)O)c3CC2O)cc1O |
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| InChI Key | VXIGQUXXTBTXPN-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 | naphthalenes |
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| Subclass | phenylnaphthalenes |
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| Direct Parent | phenylnaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsphenoxy compoundssecondary alcoholssulfinic acidstetralins |
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| Substituents | tetralinphenol ethermonocyclic benzene moietyethersulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidealcoholaromatic homopolycyclic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneorganic oxygen compoundphenylnaphthaleneanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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