1.02010-04-08 22:10:59 UTC2019-11-26 03:09:20 UTCFDB0139451-(3,5-Dihydroxyphenyl)-2-pentadecanoneIsolated from etiolated rice seedlings. 1-(3,5-Dihydroxyphenyl)-2-pentadecanone is found in cereals and cereal products.1-(3,5-Dihydroxyphenyl)-2-pentadecanone5-(2-Oxopentadecyl)-1,3-benzenediolC21H34O3334.4929334.2507949541-(3,5-dihydroxyphenyl)pentadecan-2-one1-(3,5-dihydroxyphenyl)pentadecan-2-one209901-15-5CCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,23-24H,2-14H2,1H3GOWOYXJBRFHPCM-UHFFFAOYSA-Nlogp6.77logs-5.16solubility2.29e-03 g/llogp6.92pka_strongest_acidic9.17pka_strongest_basic-5.7iupac1-(3,5-dihydroxyphenyl)pentadecan-2-oneaverage_mass334.4929mono_mass334.250794954smilesCCCCCCCCCCCCCC(=O)CC1=CC(O)=CC(O)=C1formulaC21H34O3inchiInChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(22)14-18-15-20(23)17-21(24)16-18/h15-17,23-24H,2-14H2,1H3inchikeyGOWOYXJBRFHPCM-UHFFFAOYSA-Npolar_surface_area57.53refractivity100.12polarizability42.05rotatable_bond_count14acceptor_count3donor_count2physiological_charge0formal_charge0Specdb::CMs16670Specdb::CMs44300Specdb::CMs167059Specdb::MsMs104685Specdb::MsMs104686Specdb::MsMs104687Specdb::MsMs171021Specdb::MsMs171022Specdb::MsMs171023Specdb::MsMs2818524Specdb::MsMs2818525Specdb::MsMs2818526Specdb::MsMs2889958Specdb::MsMs2889959Specdb::MsMs2889960HMDB35283#<Reference:0x00005556756689a8>Breakfast cerealType 2specificCereals and cereal productsUnknowngeneric