1.0 2010-04-08 22:04:24 UTC 2025-11-18 22:15:53 UTC FDB000013 Cyanidin 3-(6''-succinyl-glucoside) Constituent of Phragmites australis [CCD]. Cyanidin 3-(6''-succinyl-glucoside) is found in strawberry. Cyanidin 3-(6-O-succinoyl-beta-D-glucopyranoside) Cyanidin 3-O-(6''-succinyl-glucoside) C25H25O14 549.4576 549.124430508 3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium 3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium 216692-08-9 [H][C@]1(COC(=O)CCC(O)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1 MIYGQTFETYBMKF-WVXUANQFSA-O 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 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2-benzopyrans 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Benzene and substituted derivatives Benzofurans Dibenzopyrans Furans Heteroaromatic compounds Hydrocarbon derivatives Ketals Oxacyclic compounds Polyols Resorcinols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 2-arylbenzofuran flavonoid 2-benzopyran 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Aromatic heteropolycyclic compound Benzenoid Benzofuran Benzopyran Dibenzopyran Furan Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Ketal Monocyclic benzene moiety Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol Polyol Resorcinol logp 1.68 ALOGPS logs -3.21 ALOGPS solubility 3.63e-01 g/l ALOGPS logp 0.61 ChemAxon pka_strongest_acidic 3.66 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-{[(2S,3R,4S,5S,6R)-6-{[(3-carboxypropanoyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium ChemAxon average_mass 549.4576 ChemAxon mono_mass 549.124430508 ChemAxon smiles [H][C@]1(COC(=O)CCC(O)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O ChemAxon formula C25H25O14 ChemAxon inchi InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1 ChemAxon inchikey MIYGQTFETYBMKF-WVXUANQFSA-O ChemAxon polar_surface_area 236.81 ChemAxon refractivity 136.3 ChemAxon polarizability 52.05 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 20533 Specdb::CMs 41217 Specdb::CMs 281704 Specdb::CMs 323498 Specdb::CMs 323499 Specdb::CMs 323500 Specdb::CMs 323501 Specdb::CMs 323502 Specdb::CMs 323503 Specdb::CMs 323504 Specdb::CMs 323505 Specdb::CMs 323506 Specdb::CMs 323507 Specdb::CMs 323508 Specdb::CMs 323509 Specdb::CMs 323510 Specdb::CMs 323511 Specdb::CMs 323512 Specdb::CMs 323513 Specdb::CMs 323514 Specdb::CMs 323515 Specdb::CMs 323516 Specdb::CMs 323517 Specdb::CMs 323518 Specdb::CMs 323519 Specdb::MsMs 43215 Specdb::MsMs 43216 Specdb::MsMs 43217 Specdb::MsMs 157383 Specdb::MsMs 157384 Specdb::MsMs 157385 Specdb::MsMs 2600222 Specdb::MsMs 2600223 Specdb::MsMs 2600224 HMDB29237 Strawberry Type 1 specific Fragaria X ananassa 3747 1.223154 1.223153816 1.223153816 mg/100 g