1.0 2010-04-08 22:05:01 UTC 2019-11-26 02:56:35 UTC FDB001557 3'-Deoxyderhamnosylmaysin 3'-deoxyderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3'-deoxyderhamnosylmaysin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3'-deoxyderhamnosylmaysin can be found in corn, which makes 3'-deoxyderhamnosylmaysin a potential biomarker for the consumption of this food product. C21H18O9 414.3622 414.095082174 6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one 6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one C[C@@H]1OC([C@H](O)[C@H](O)C1=O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1 InChI=1S/C21H18O9/c1-8-17(25)19(27)20(28)21(29-8)16-12(24)7-14-15(18(16)26)11(23)6-13(30-14)9-2-4-10(22)5-3-9/h2-8,19-22,24,26-28H,1H3/t8-,19+,20+,21?/m0/s1 FBACKRBXYOUJQQ-PFQBAWLCSA-N belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Flavonoid C-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Chromones Cyclic ketones Dialkyl ethers Flavones Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Pyranones and derivatives Secondary alcohols Vinylogous acids 1,2-diol 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Chromone Cyclic ketone Dialkyl ether Ether Flavone Flavonoid c-glycoside Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Pyran Pyranone Secondary alcohol Vinylogous acid logp 1.68 ALOGPS logs -2.59 ALOGPS solubility 1.06e+00 g/l ALOGPS logp 1.61 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one ChemAxon average_mass 414.3622 ChemAxon mono_mass 414.095082174 ChemAxon smiles C[C@@H]1OC([C@H](O)[C@H](O)C1=O)C1=C(O)C=C2OC(=CC(=O)C2=C1O)C1=CC=C(O)C=C1 ChemAxon formula C21H18O9 ChemAxon inchi InChI=1S/C21H18O9/c1-8-17(25)19(27)20(28)21(29-8)16-12(24)7-14-15(18(16)26)11(23)6-13(30-14)9-2-4-10(22)5-3-9/h2-8,19-22,24,26-28H,1H3/t8-,19+,20+,21?/m0/s1 ChemAxon inchikey FBACKRBXYOUJQQ-PFQBAWLCSA-N ChemAxon polar_surface_area 153.75 ChemAxon refractivity 103.72 ChemAxon polarizability 41 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 103482 Specdb::MsMs 103483 Specdb::MsMs 103484 Specdb::MsMs 169533 Specdb::MsMs 169534 Specdb::MsMs 169535 Specdb::MsMs 3597777 Specdb::MsMs 3597778 Specdb::MsMs 3597779 Specdb::MsMs 3597780 Specdb::MsMs 3597781 Specdb::MsMs 3597782 Corn Type 1 specific Zea mays 4577