1.0 2010-04-08 22:15:41 UTC 2019-11-26 03:20:21 UTC FDB021416 Chamaemeloside Constituent of the flowers of Chamaemelum nobile (Roman chamomile). Chamaemeloside is found in roman camomile and herbs and spices. 6''-O-(3-Hydroxy-3-methylglutaroyl)cosmosiin 7-[[6-O-(4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one Apigenin 7-[6''-(3-Hydroxy-3-methylglutaryl)glucoside] Chamaemeloside C27H28O14 576.5028 576.147905604 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoic acid 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoic acid 173356-77-9 CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32) WWGLAVUKYJELNJ-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Hydroxybenzoic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoic acids Benzoyl derivatives Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Resorcinols Salicylic acids Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Dihydroxybenzoic acid Hydrocarbon derivative Hydroxybenzoic acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenol Resorcinol Salicylic acid Salicylic acid or derivatives Vinylogous acid logp 1.04 ALOGPS logs -3.16 ALOGPS solubility 3.98e-01 g/l ALOGPS logp 0.35 ChemAxon pka_strongest_acidic 3.75 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]pentanoic acid ChemAxon average_mass 576.5028 ChemAxon mono_mass 576.147905604 ChemAxon smiles CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C27H28O14 ChemAxon inchi InChI=1S/C27H28O14/c1-27(37,9-20(31)32)10-21(33)38-11-19-23(34)24(35)25(36)26(41-19)39-14-6-15(29)22-16(30)8-17(40-18(22)7-14)12-2-4-13(28)5-3-12/h2-8,19,23-26,28-29,34-37H,9-11H2,1H3,(H,31,32) ChemAxon inchikey WWGLAVUKYJELNJ-UHFFFAOYSA-N ChemAxon polar_surface_area 229.74 ChemAxon refractivity 135.7 ChemAxon polarizability 55.18 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12359 Specdb::MsMs 12360 Specdb::MsMs 12361 Specdb::MsMs 19031 Specdb::MsMs 19032 Specdb::MsMs 19033 Specdb::MsMs 2292453 Specdb::MsMs 2292454 Specdb::MsMs 2292455 Specdb::MsMs 2646699 Specdb::MsMs 2646700 Specdb::MsMs 2646701 Specdb::CMs 20534 Specdb::CMs 47331 Specdb::CMs 282437 Specdb::CMs 375005 Specdb::CMs 375006 Specdb::CMs 375007 Specdb::CMs 375008 Specdb::CMs 375009 Specdb::CMs 375010 Specdb::CMs 375011 Specdb::CMs 375012 Specdb::CMs 375013 Specdb::CMs 375014 Specdb::CMs 375015 Specdb::CMs 375016 Specdb::CMs 375017 Specdb::CMs 375018 Specdb::CMs 375019 Specdb::CMs 375020 Specdb::CMs 375021 Specdb::CMs 375022 Specdb::CMs 375023 Specdb::CMs 375024 Specdb::CMs 375025 Specdb::CMs 375026 HMDB41459 #<Reference:0x000055ce32092008> Herbs and Spices Unknown generic Roman camomile Type 1 specific Chamaemelum nobile 99037