1.0 2010-04-08 22:12:31 UTC 2025-11-19 01:48:25 UTC FDB016575 Subulin Isolated from seeds of Amomum subulatum (Nepal cardamom). Subulin is found in herbs and spices. Subulin C28H32O16 624.5441 624.169034976 (2E)-6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-methoxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one (2E)-6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-methoxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3-one 66274-45-1 COC1=C2C(=O)\C(OC2=CC(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)=C1)=C/C1=CC(O)=C(O)C(O)=C1 InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/b16-5+ VNQWBHCOIDFEBH-FZSIALSZSA-N belongs to the class of organic compounds known as aurone o-glycosides. These are aurone flavonoids containing a carbohydrate moiety O-glycosidically bound to the aurone skeleton. Aurone O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryl ketones Aurone flavonoids Benzene and substituted derivatives Benzofurans Coumarans Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Aryl ketone Aurone Aurone-6-o-glycoside Benzenetriol Benzenoid Benzofuran Coumaran Disaccharide Ether Glycosyl compound Hydrocarbon derivative Ketone Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Polyol Primary alcohol Pyrogallol derivative Secondary alcohol logp 0.11 ALOGPS logs -2.56 ALOGPS solubility 1.72e+00 g/l ALOGPS melting_point Mp 178° logp -1.2 ChemAxon pka_strongest_acidic 8.38 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2E)-6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-4-methoxy-2-[(3,4,5-trihydroxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one ChemAxon average_mass 624.5441 ChemAxon mono_mass 624.169034976 ChemAxon smiles COC1=C2C(=O)\C(OC2=CC(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)=C1)=C/C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C28H32O16 ChemAxon inchi InChI=1S/C28H32O16/c1-9-19(32)22(35)24(37)27(40-9)44-26-17(8-29)43-28(25(38)23(26)36)41-11-6-14(39-2)18-15(7-11)42-16(21(18)34)5-10-3-12(30)20(33)13(31)4-10/h3-7,9,17,19,22-33,35-38H,8H2,1-2H3/b16-5+ ChemAxon inchikey VNQWBHCOIDFEBH-FZSIALSZSA-N ChemAxon polar_surface_area 254.52 ChemAxon refractivity 144.45 ChemAxon polarizability 61.63 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45351 Specdb::MsMs 45352 Specdb::MsMs 45353 Specdb::MsMs 176928 Specdb::MsMs 176929 Specdb::MsMs 176930 Specdb::MsMs 2408743 Specdb::MsMs 2408744 Specdb::MsMs 2408745 Specdb::MsMs 2554468 Specdb::MsMs 2554469 Specdb::MsMs 2554470 Specdb::NmrOneD 141390 Specdb::NmrOneD 141391 Specdb::NmrOneD 141392 Specdb::NmrOneD 141393 Specdb::NmrOneD 141394 Specdb::NmrOneD 141395 Specdb::NmrOneD 141396 Specdb::NmrOneD 141397 Specdb::NmrOneD 141398 Specdb::NmrOneD 141399 Specdb::NmrOneD 141400 Specdb::NmrOneD 141401 Specdb::NmrOneD 141402 Specdb::NmrOneD 141403 Specdb::NmrOneD 141404 Specdb::NmrOneD 141405 Specdb::NmrOneD 141406 Specdb::NmrOneD 141407 Specdb::NmrOneD 141408 Specdb::NmrOneD 141409 Specdb::CMs 45427 Specdb::CMs 62652 Specdb::CMs 558171 Specdb::CMs 558172 Specdb::CMs 558173 Specdb::CMs 558174 Specdb::CMs 558175 Specdb::CMs 558176 Specdb::CMs 558177 Specdb::CMs 558178 Specdb::CMs 558179 Specdb::CMs 558180 Specdb::CMs 558181 Specdb::CMs 558182 Specdb::CMs 558183 Specdb::CMs 558184 Specdb::CMs 558185 Specdb::CMs 558186 Specdb::CMs 558187 Specdb::CMs 558188 Specdb::CMs 558189 Specdb::CMs 558190 Specdb::CMs 558191 Specdb::CMs 558192 Specdb::CMs 558193 HMDB37500 #<Reference:0x000055ce334fccf0> Herbs and Spices Unknown generic