1.0 2010-04-08 22:07:58 UTC 2025-11-18 23:07:50 UTC FDB008211 Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside]) Constituent of spinach (Spinacea oleracea) leaves. Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside]) is found in green vegetables and spinach. 3-[[O-D-Apio-beta-D-furanosyl-(1->2)-O-[2-O-[(2e)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one 3,3',4',5,7-Pentahydroxy-6-methoxyflavone 3-O-[b-D-apiofuranosyl-(1->2)-[4-hydroxy-3-methoxycinnamoyl-(->2)-b-D-glucopyranosyl-(1->6)]-b-D-glucopyranoside] Patuletin 3-(2''-apiosyl-[2'''-feruloylgentiobioside]) Patuletin 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside] Patuletin 3-[apiosyl-(1->2)-[feruloyl-(->2)-glucosyl-(1->6)]-glucoside] Patuletin 3-O-(2''-feruloylglucosyl)(1->6)-[apiosyl(1->2)]-glucoside Patuletin 3-O-beta-D-(2''-feruloylglucopyranosyl)(1->6)-[beta-D-apiofuranosyl(1->2)]-beta-D-glucopyranoside Quercetagetin 6-methyl ether 3-(2''-feruloylglucosyl)-(1->6)-[apiosyl-(1->2)-glucoside] C43H48O25 964.8262 964.248467086 (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxochromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 195206-61-2 COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(O)=C4)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1 InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1 VSMDAOFJZBLZOB-JFGFUAGISA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Branched fatty acids logp 1.00 ALOGPS logs -2.81 ALOGPS solubility 1.49e+00 g/l ALOGPS logp -0.78 ChemAxon pka_strongest_acidic 6.95 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3R,4S,5S,6R)-2-{[(2R,3S,4S,5R,6S)-5-{[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3,4-dihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ChemAxon average_mass 964.8262 ChemAxon mono_mass 964.248467086 ChemAxon smiles COC1=C(O)C=CC(\C=C\C(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC4=C(OC5=C(C(O)=C(OC)C(O)=C5)C4=O)C4=CC=C(O)C(O)=C4)[C@H](O[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)=C1 ChemAxon formula C43H48O25 ChemAxon inchi InChI=1S/C43H48O25/c1-59-22-9-16(3-6-19(22)47)4-8-26(50)66-37-32(55)28(51)24(12-44)64-40(37)61-13-25-29(52)33(56)38(68-42-39(57)43(58,14-45)15-62-42)41(65-25)67-36-31(54)27-23(11-21(49)35(60-2)30(27)53)63-34(36)17-5-7-18(46)20(48)10-17/h3-11,24-25,28-29,32-33,37-42,44-49,51-53,55-58H,12-15H2,1-2H3/b8-4+/t24-,25-,28-,29-,32+,33+,37-,38-,39+,40-,41+,42+,43-/m1/s1 ChemAxon inchikey VSMDAOFJZBLZOB-JFGFUAGISA-N ChemAxon polar_surface_area 389.43 ChemAxon refractivity 222.83 ChemAxon polarizability 93.09 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 24 ChemAxon donor_count 13 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 88734 Specdb::MsMs 88735 Specdb::MsMs 88736 Specdb::MsMs 151524 Specdb::MsMs 151525 Specdb::MsMs 151526 Specdb::MsMs 2355264 Specdb::MsMs 2355265 Specdb::MsMs 2355266 Specdb::MsMs 2606596 Specdb::MsMs 2606597 Specdb::MsMs 2606598 Specdb::NmrOneD 164769 Specdb::NmrOneD 164770 Specdb::NmrOneD 164771 Specdb::NmrOneD 164772 Specdb::NmrOneD 164773 Specdb::NmrOneD 164774 Specdb::NmrOneD 164775 Specdb::NmrOneD 164776 Specdb::NmrOneD 164777 Specdb::NmrOneD 164778 Specdb::NmrOneD 164779 Specdb::NmrOneD 164780 Specdb::NmrOneD 164781 Specdb::NmrOneD 164782 Specdb::NmrOneD 164783 Specdb::NmrOneD 164784 Specdb::NmrOneD 164785 Specdb::NmrOneD 164786 Specdb::NmrOneD 164787 Specdb::NmrOneD 164788 HMDB31585 #<Reference:0x000055ce3285de68> Green vegetables Unknown generic Spinach Type 1 specific Spinacia oleracea 3562 9.507586 9.507586134 9.507586134 mg/100 g