1.02010-04-08 22:13:27 UTC2019-11-26 03:15:35 UTCFDB018022Hydroxymethyl indol-3-yl ketoneAlkaloid from liquid cultures of the fungus Lactarius deliciosus. Hydroxymethyl indol-3-yl ketone is found in mushrooms.2-Hydroxy-1-(1H-indol-3-yl)-ethanone2-hydroxy-1-(1H-indol-3-yl)ethanone2-Hydroxy-1-(1H-indol-3-yl)ethanone, 9CI3-GlyceroindoleEthanone, 2-hydroxy-1-(1H-indol-3-yl)-Hydroxymethyl indol-3-yl ketone, 8CIINDOLE-3-KETOLC10H9NO2175.184175.0633285372-hydroxy-1-(1H-indol-3-yl)ethan-1-one2-hydroxy-1-(1H-indol-3-yl)ethanone2400-51-3OCC(=O)C1=CNC2=CC=CC=C12InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2IBLZDDPFMAFWKP-UHFFFAOYSA-N belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.IndolesOrganic compoundsOrganoheterocyclic compoundsIndoles and derivativesIndolesAromatic heteropolycyclic compoundsAlpha-hydroxy ketonesAryl alkyl ketonesAzacyclic compoundsBenzenoidsHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsPrimary alcoholsSubstituted pyrrolesVinylogous amidesAlcoholAlpha-hydroxy ketoneAromatic heteropolycyclic compoundAryl alkyl ketoneAryl ketoneAzacycleBenzenoidHeteroaromatic compoundHydrocarbon derivativeIndoleKetoneOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundPrimary alcoholPyrroleSubstituted pyrroleVinylogous amidea small moleculelogp1.23logs-1.75solubility3.11e+00 g/lmelting_pointMp 173-174°logp0.81pka_strongest_acidic12.97pka_strongest_basic-3.3iupac2-hydroxy-1-(1H-indol-3-yl)ethan-1-oneaverage_mass175.184mono_mass175.063328537smilesOCC(=O)C1=CNC2=CC=CC=C12formulaC10H9NO2inchiInChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2inchikeyIBLZDDPFMAFWKP-UHFFFAOYSA-Npolar_surface_area53.09refractivity49.25polarizability18.02rotatable_bond_count2acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsIr7990Specdb::MsIr7991Specdb::MsIr7992Specdb::MsMs99171Specdb::MsMs99172Specdb::MsMs99173Specdb::MsMs164271Specdb::MsMs164272Specdb::MsMs164273Specdb::MsMs2724113Specdb::MsMs2724114Specdb::MsMs2724115Specdb::MsMs2954943Specdb::MsMs2954944Specdb::MsMs2954945Specdb::NmrOneD27722Specdb::NmrOneD27723Specdb::NmrOneD27724Specdb::NmrOneD27725Specdb::NmrOneD27726Specdb::NmrOneD27727Specdb::NmrOneD27728Specdb::NmrOneD27729Specdb::NmrOneD27730Specdb::NmrOneD27731Specdb::NmrOneD27732Specdb::NmrOneD27733Specdb::NmrOneD27734Specdb::NmrOneD27735Specdb::NmrOneD27736Specdb::NmrOneD27737Specdb::NmrOneD27738Specdb::NmrOneD27739Specdb::NmrOneD27740Specdb::NmrOneD27741Specdb::CMs14258Specdb::CMs45947Specdb::CMs131316Specdb::CMs139050HMDB38628#<Reference:0x000055567420c180>Common mushroomType 1specificAgaricus bisporus5341MushroomsUnknowngenericOyster mushroomType 1specificPleurotus ostreatus5322