Molecule Identification Common Name 6-({2-acetyl-1,2-dimethyl-1H,2H,3H,4H,9H-2λ⁵-pyrido[3,4-b]indol-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Definition 6-({2-acetyl-1,2-dimethyl-1H,2H,3H,4H,9H-2λ⁵-pyrido[3,4-b]indol-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is possibly neutral. Structure CC1C2=C(CC[N]1(C)C(C)=O)C1=C(N2)C=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1 InChI=1S/C21H27N2O8/c1-9-15-13(6-7-23(9,3)10(2)24)12-5-4-11(8-14(12)22-15)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h4-5,8-9,16-19,21-22,25-27H,6-7H2,1-3H3,(H,28,29) Synonyms Value Source 6-({2-acetyl-1,2-dimethyl-1H,2H,3H,4H,9H-2λ⁵-pyrido[3,4-b]indol-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylate Generator
Chemical Formula C21 H27 N2 O8 Average Molecular Weight 435.453 Monoisotopic Molecular Weight 435.176740837 IUPAC Name 6-({2-acetyl-1,2-dimethyl-1H,2H,3H,4H,9H-2lambda5-pyrido[3,4-b]indol-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name 6-({2-acetyl-1,2-dimethyl-1H,2H,3H,4H,9H-2lambda5-pyrido[3,4-b]indol-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid CAS Registry Number Not Available SMILES CC1C2=C(CC[N]1(C)C(C)=O)C1=C(N2)C=C(OC2OC(C(O)C(O)C2O)C(O)=O)C=C1
InChI Identifier InChI=1S/C21H27N2O8/c1-9-15-13(6-7-23(9,3)10(2)24)12-5-4-11(8-14(12)22-15)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h4-5,8-9,16-19,21-22,25-27H,6-7H2,1-3H3,(H,28,29)
InChI Key ZEXIYPUMOHZVKK-UHFFFAOYSA-N 
