1.0 2010-04-08 22:11:59 UTC 2019-11-26 03:12:02 UTC FDB015684 Matsutakeside I Isolated from the fungus Laetiporus sulphureus variety miniatus. Matsutakeside I is found in mushrooms. Egonol primeveroside Matsutakeside I C30H36O14 620.5984 620.21050586 2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol 530-22-3 COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1 InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3 JKLGFSBPEZTFTQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Benzodioxoles Benzofurans Disaccharides Fatty acyl glycosides of mono- and disaccharides Furans Heteroaromatic compounds Hydrocarbon derivatives Lignan glycosides O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols 2-arylbenzofuran flavonoid Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteropolycyclic compound Benzenoid Benzodioxole Benzofuran Disaccharide Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furan Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Lignan glycoside Neolignan skeleton O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Secondary alcohol logp 0.70 ALOGPS logs -2.90 ALOGPS solubility 7.86e-01 g/l ALOGPS logp 0.22 ChemAxon pka_strongest_acidic 11.93 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 2-{3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy}-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol ChemAxon average_mass 620.5984 ChemAxon mono_mass 620.21050586 ChemAxon smiles COC1=CC(CCCOC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=CC2=C1OC(=C2)C1=CC2=C(OCO2)C=C1 ChemAxon formula C30H36O14 ChemAxon inchi InChI=1S/C30H36O14/c1-37-21-8-14(7-16-10-19(43-28(16)21)15-4-5-18-20(9-15)42-13-41-18)3-2-6-38-30-27(36)25(34)24(33)22(44-30)12-40-29-26(35)23(32)17(31)11-39-29/h4-5,7-10,17,22-27,29-36H,2-3,6,11-13H2,1H3 ChemAxon inchikey JKLGFSBPEZTFTQ-UHFFFAOYSA-N ChemAxon polar_surface_area 199.13 ChemAxon refractivity 147.18 ChemAxon polarizability 64.7 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 58662 Specdb::MsMs 58663 Specdb::MsMs 58664 Specdb::MsMs 114648 Specdb::MsMs 114649 Specdb::MsMs 114650 Specdb::MsMs 2297584 Specdb::MsMs 2297585 Specdb::MsMs 2297586 Specdb::MsMs 2637889 Specdb::MsMs 2637890 Specdb::MsMs 2637891 Specdb::CMs 9848 Specdb::CMs 45011 Specdb::CMs 543680 Specdb::CMs 543681 Specdb::CMs 543682 Specdb::CMs 543683 Specdb::CMs 543684 Specdb::CMs 543685 Specdb::CMs 543686 Specdb::CMs 543687 Specdb::CMs 543688 Specdb::CMs 543689 Specdb::CMs 543690 Specdb::CMs 543691 Specdb::CMs 543692 Specdb::CMs 543693 Specdb::CMs 543694 Specdb::CMs 543695 Specdb::CMs 543696 Specdb::CMs 543697 Specdb::CMs 543698 Specdb::CMs 543699 Specdb::CMs 543700 Specdb::CMs 543701 Specdb::CMs 543702 HMDB36746 #<Reference:0x00007f093c0a8380> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322