1.0 2010-04-08 22:15:38 UTC 2025-11-19 02:37:01 UTC FDB021358 Marmesin rutinoside Constituent of the roots of Murraya koenigii (curry leaf tree). Marmesin rutinoside is found in herbs and spices. Marmesin rutinoside C26H34O13 554.5404 554.199941174 2-{2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-one 2-{2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2H,3H-furo[3,2-g]chromen-7-one 159650-11-0 CC1OC(OCC2OC(OC(C)(C)C3CC4=C(O3)C=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3 YRSYZKMFCFPXRA-UHFFFAOYSA-N belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Psoralens Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Furanocoumarins Aromatic heteropolycyclic compounds 1-benzopyrans Acetals Alkyl aryl ethers Benzenoids Coumarans Disaccharides Heteroaromatic compounds Hydrocarbon derivatives Lactones O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Benzopyran Coumaran Disaccharide Ether Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Lactone O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Psoralen Pyran Pyranone Secondary alcohol logp -0.14 ALOGPS logs -2.31 ALOGPS solubility 2.72e+00 g/l ALOGPS melting_point Mp 190-191° logp -0.76 ChemAxon pka_strongest_acidic 11.92 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{2-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]propan-2-yl}-2H,3H,7H-furo[3,2-g]chromen-7-one ChemAxon average_mass 554.5404 ChemAxon mono_mass 554.199941174 ChemAxon smiles CC1OC(OCC2OC(OC(C)(C)C3CC4=C(O3)C=C3OC(=O)C=CC3=C4)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C26H34O13 ChemAxon inchi InChI=1S/C26H34O13/c1-10-18(28)20(30)22(32)24(35-10)34-9-15-19(29)21(31)23(33)25(38-15)39-26(2,3)16-7-12-6-11-4-5-17(27)37-13(11)8-14(12)36-16/h4-6,8,10,15-16,18-25,28-33H,7,9H2,1-3H3 ChemAxon inchikey YRSYZKMFCFPXRA-UHFFFAOYSA-N ChemAxon polar_surface_area 193.83 ChemAxon refractivity 129.62 ChemAxon polarizability 55.59 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 12 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 301885 Specdb::MsMs 301886 Specdb::MsMs 301887 Specdb::MsMs 344488 Specdb::MsMs 344489 Specdb::MsMs 344490 Specdb::MsMs 2703794 Specdb::MsMs 2703795 Specdb::MsMs 2703796 Specdb::MsMs 3001630 Specdb::MsMs 3001631 Specdb::MsMs 3001632 Specdb::CMs 16198 Specdb::CMs 47304 Specdb::CMs 281819 Specdb::CMs 339178 Specdb::CMs 339179 Specdb::CMs 339180 Specdb::CMs 339181 Specdb::CMs 339182 Specdb::CMs 339183 Specdb::CMs 339184 Specdb::CMs 339185 Specdb::CMs 339186 Specdb::CMs 339187 Specdb::CMs 339188 Specdb::CMs 339189 Specdb::CMs 339190 Specdb::CMs 339191 Specdb::CMs 339192 Specdb::CMs 339193 Specdb::CMs 339194 Specdb::CMs 339195 Specdb::CMs 339196 Specdb::CMs 339197 Specdb::CMs 339198 Specdb::CMs 339199 Specdb::NmrOneD 46642 Specdb::NmrOneD 46643 Specdb::NmrOneD 46644 Specdb::NmrOneD 46645 Specdb::NmrOneD 46646 Specdb::NmrOneD 46647 Specdb::NmrOneD 46648 Specdb::NmrOneD 46649 Specdb::NmrOneD 46650 Specdb::NmrOneD 46651 Specdb::NmrOneD 46652 Specdb::NmrOneD 46653 Specdb::NmrOneD 46654 Specdb::NmrOneD 46655 Specdb::NmrOneD 46656 Specdb::NmrOneD 46657 Specdb::NmrOneD 46658 Specdb::NmrOneD 46659 Specdb::NmrOneD 46660 Specdb::NmrOneD 46661 HMDB41413 #<Reference:0x000055ce30621048> Herbs and Spices Unknown generic