1.0 2019-10-16 14:29:25 UTC 2019-10-16 14:29:25 UTC FDB093721 Homovanillyl alcohol sulfate C9H12O6S 248.25 248.03545928 COC1=C(OS(O)(=O)=O)C=CC(CCO)=C1 InChI=1S/C9H12O6S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6,10H,4-5H2,1H3,(H,11,12,13) LWTDOJAWTHMBFG-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. Phenylsulfates Organic compounds Organic acids and derivatives Organic sulfuric acids and derivatives Arylsulfates Aromatic homomonocyclic compounds Alkyl aryl ethers Anisoles Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Primary alcohols Sulfuric acid monoesters Tyrosols and derivatives Alcohol Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol ether Phenoxy compound Phenylsulfate Primary alcohol Sulfate-ester Sulfuric acid ester Sulfuric acid monoester Tyrosol derivative average_mass 248.25 ChemAxon mono_mass 248.03545928 ChemAxon smiles COC1=C(OS(O)(=O)=O)C=CC(CCO)=C1 ChemAxon formula C9H12O6S ChemAxon inchi InChI=1S/C9H12O6S/c1-14-9-6-7(4-5-10)2-3-8(9)15-16(11,12)13/h2-3,6,10H,4-5H2,1H3,(H,11,12,13) ChemAxon inchikey LWTDOJAWTHMBFG-UHFFFAOYSA-N ChemAxon Specdb::CMs 132044 Specdb::CMs 139778 Specdb::MsMs 2404964 Specdb::MsMs 2404965 Specdb::MsMs 2404966 Specdb::MsMs 2530071 Specdb::MsMs 2530072 Specdb::MsMs 2530073 FOBI:030589