| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:55 UTC |
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| Update Date | 2025-03-25 00:53:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O4S |
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| Molecular Mass | 302.0613 |
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| SMILES | O=C1c2cc(S(=O)O)ccc2CCC1c1ccc(O)cc1 |
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| InChI Key | CNCDFNDSGNVLKX-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 benzenoidsaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfur compoundssulfinic acidstetralins |
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| Substituents | tetralinmonocyclic benzene moietyaryl alkyl ketonesulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganosulfur compoundsulfinic acidketoneorganic oxideorganic oxygen compoundphenylnaphthalenephenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
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