1.0 2010-04-08 22:05:34 UTC 2025-11-18 22:41:43 UTC FDB002903 Triglochinin Constituent of the famine food Alocasia macrorrhiza (wild taro). Triglochinin is found in green vegetables. C14H17NO10 359.2855 359.085245769 (2E,4E)-4-[cyano({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methylidene]hex-2-enedioic acid (2E,4E)-4-[cyano({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methylidene]hex-2-enedioic acid 28876-11-1 OCC1OC(O\C(C#N)=C(/CC(O)=O)\C=C\C(O)=O)C(O)C(O)C1O InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1+,7-6- LABCALMTQNDOAI-RPRRTJJHSA-N belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Cyanogenic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Amino fatty acids Branched fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Fatty acyl glycosides of mono- and disaccharides Heterocyclic fatty acids Hexoses Hydrocarbon derivatives Hydroxy fatty acids Medium-chain fatty acids Nitriles O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Unsaturated fatty acids Acetal Alcohol Aliphatic heteromonocyclic compound Amino fatty acid Branched fatty acid Carbonitrile Carbonyl group Carboxylic acid Carboxylic acid derivative Cyanogenic glycoside Dicarboxylic acid or derivatives Fatty acid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Heterocyclic fatty acid Hexose monosaccharide Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Unsaturated fatty acid logp -1.57 ALOGPS logs -1.62 ALOGPS solubility 8.64e+00 g/l ALOGPS logp -2.7 ChemAxon pka_strongest_acidic 1.98 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2E,4E)-4-[cyano({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methylidene]hex-2-enedioic acid ChemAxon average_mass 359.2855 ChemAxon mono_mass 359.085245769 ChemAxon smiles OCC1OC(O\C(C#N)=C(/CC(O)=O)\C=C\C(O)=O)C(O)C(O)C1O ChemAxon formula C14H17NO10 ChemAxon inchi InChI=1S/C14H17NO10/c15-4-7(6(3-10(19)20)1-2-9(17)18)24-14-13(23)12(22)11(21)8(5-16)25-14/h1-2,8,11-14,16,21-23H,3,5H2,(H,17,18)(H,19,20)/b2-1+,7-6- ChemAxon inchikey LABCALMTQNDOAI-RPRRTJJHSA-N ChemAxon polar_surface_area 197.77 ChemAxon refractivity 78.83 ChemAxon polarizability 32.21 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 11 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14124 Specdb::CMs 42257 Specdb::CMs 161418 Specdb::NmrOneD 162429 Specdb::NmrOneD 162430 Specdb::NmrOneD 162431 Specdb::NmrOneD 162432 Specdb::NmrOneD 162433 Specdb::NmrOneD 162434 Specdb::NmrOneD 162435 Specdb::NmrOneD 162436 Specdb::NmrOneD 162437 Specdb::NmrOneD 162438 Specdb::NmrOneD 162439 Specdb::NmrOneD 162440 Specdb::NmrOneD 162441 Specdb::NmrOneD 162442 Specdb::NmrOneD 162443 Specdb::NmrOneD 162444 Specdb::NmrOneD 162445 Specdb::NmrOneD 162446 Specdb::NmrOneD 162447 Specdb::NmrOneD 162448 Specdb::MsMs 66036 Specdb::MsMs 66037 Specdb::MsMs 66038 Specdb::MsMs 123501 Specdb::MsMs 123502 Specdb::MsMs 123503 Specdb::MsMs 2775875 Specdb::MsMs 2775876 Specdb::MsMs 2775877 Specdb::MsMs 2905935 Specdb::MsMs 2905936 Specdb::MsMs 2905937 HMDB0030934 Green vegetables Unknown generic