1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:17 UTC FDB018536 (R)-Apiumetin glucoside Constituent of Apium graveolens. (R)-Apiumetin glucoside is found in wild celery and green vegetables. (-)-2,3-Dihydro-9-O-beta-glucosyloxy-2-isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one (R)-Apiumetin glucoside (R)-Apiumetin O-b-D-glucopyranoside (R)-Apiumetin O-b-D-glucoside (R)-Apiumetin O-glucoside C20H22O9 406.3833 406.126382302 2-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-7-one 2-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H-furo[3,2-g]chromen-7-one 115356-05-3 CC(=C)C1CC2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C1OC(=O)C=CC1=C2 InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3 VPAPSBNFWBXZLU-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarin glycosides. These are aromatic compounds containing a carbohydrate moiety glycosidically bound to a coumarin moiety. Coumarin glycosides Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Coumarin glycosides Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Benzenoids Coumarans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Psoralens Pyranones and derivatives Secondary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Coumarin o-glycoside Coumarin-8-o-glycoside Ether Furanocoumarin Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Lactone Linear furanocoumarin Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Psoralen Pyran Pyranone Secondary alcohol logp -0.00 ALOGPS logs -2.21 ALOGPS solubility 2.51e+00 g/l ALOGPS melting_point Mp 165° logp 0.13 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-(prop-1-en-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 406.3833 ChemAxon mono_mass 406.126382302 ChemAxon smiles CC(=C)C1CC2=C(O1)C(OC1OC(CO)C(O)C(O)C1O)=C1OC(=O)C=CC1=C2 ChemAxon formula C20H22O9 ChemAxon inchi InChI=1S/C20H22O9/c1-8(2)11-6-10-5-9-3-4-13(22)28-17(9)19(18(10)26-11)29-20-16(25)15(24)14(23)12(7-21)27-20/h3-5,11-12,14-16,20-21,23-25H,1,6-7H2,2H3 ChemAxon inchikey VPAPSBNFWBXZLU-UHFFFAOYSA-N ChemAxon polar_surface_area 134.91 ChemAxon refractivity 98.56 ChemAxon polarizability 40.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24651 Specdb::CMs 46225 Specdb::CMs 149659 Specdb::MsMs 106740 Specdb::MsMs 106741 Specdb::MsMs 106742 Specdb::MsMs 173562 Specdb::MsMs 173563 Specdb::MsMs 173564 Specdb::MsMs 2449318 Specdb::MsMs 2449319 Specdb::MsMs 2449320 Specdb::MsMs 2485686 Specdb::MsMs 2485687 Specdb::MsMs 2485688 HMDB39039 #<Reference:0x000055ce30b076e8> Green vegetables Unknown generic Wild celery Type 1 specific Apium graveolens 4045