1.0 2020-05-06 19:45:30 UTC 2020-05-07 14:45:06 UTC BMDB0109751 1,3-Benzenediol 1,3-Dihydroxybenzene 1,3-Dihydroxybenzol m-Hydroquinone m-Hydroxyphenol Resorcin Resorzin Resorcinol disodium salt Resorcinol, monocopper (2+) salt 1,3-Benzenediol 1,3-Dihydroxy-benzene 3-Hydroxyphenol FEMA 3589 m-Benzenediol m-Dihydroxybenzene m-Dioxybenzene m-Hydroxy-phenol Resorcinol, 8ci Rezorsine Benzene-1,3-Diol Resorcinol C6H6O2 110.1106 110.036779436 benzene-1,3-diol resorcinol 108-46-3 OC1=CC(O)=CC=C1 InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H GHMLBKRAJCXXBS-UHFFFAOYSA-N belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. Organic compounds Benzenoids Phenols Benzenediols Resorcinols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Hydrocarbon derivatives Organooxygen compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Resorcinol Aromatic homomonocyclic compounds a benzenediol benzenediol resorcinols logp 0.70 ALOGPS logs -0.13 ALOGPS logp 1.37 ChemAxon pka_strongest_acidic 9.26 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac benzene-1,3-diol ChemAxon average_mass 110.1106 ChemAxon mono_mass 110.036779436 ChemAxon smiles OC1=CC(O)=CC=C1 ChemAxon formula C6H6O2 ChemAxon inchi InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H ChemAxon inchikey GHMLBKRAJCXXBS-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 30.02 ChemAxon polarizability 10.75 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13780 Specdb::CMs 26743 Specdb::CMs 27577 Specdb::CMs 29906 Specdb::CMs 32131 Specdb::CMs 42722 Specdb::CMs 100995 Specdb::CMs 100996 Specdb::CMs 100997 Specdb::CMs 100998 Specdb::CMs 169349 Specdb::MsIr 5034 Specdb::MsIr 5035 Specdb::MsIr 5036 Specdb::EiMs 745 Specdb::NmrOneD 2122 Specdb::NmrOneD 2815 Specdb::NmrOneD 111698 Specdb::NmrOneD 111699 Specdb::NmrOneD 111700 Specdb::NmrOneD 111701 Specdb::NmrOneD 111702 Specdb::NmrOneD 111703 Specdb::NmrOneD 111704 Specdb::NmrOneD 111705 Specdb::NmrOneD 111706 Specdb::NmrOneD 111707 Specdb::NmrOneD 111708 Specdb::NmrOneD 111709 Specdb::NmrOneD 111710 Specdb::NmrOneD 111711 Specdb::NmrOneD 111712 Specdb::NmrOneD 111713 Specdb::NmrOneD 111714 Specdb::NmrOneD 111715 Specdb::NmrOneD 111716 Specdb::NmrOneD 111717 Specdb::MsMs 92448 Specdb::MsMs 92449 Specdb::MsMs 92450 Specdb::MsMs 156066 Specdb::MsMs 156067 Specdb::MsMs 156068 Specdb::MsMs 2410561 Specdb::MsMs 2410562 Specdb::MsMs 2410563 Specdb::MsMs 2554621 Specdb::MsMs 2554622 Specdb::MsMs 2554623 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 FDB008738 4878 5054 C00002671 27810 C01751 DB11085 663 RCO CPD-623 Resorcinol