Analyte Name

Cyclic N-Acetylserotonin Glucuronide

CAS Number

1020687-67-5

Molecular Formula

C18 H20 N2 O8

Molecular Weight

392.36

Accurate Mass

392.122

SMILES

CC(=O)N1CCc2c1[nH]c3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)cc23

InChI

InChI=1S/C18H20N2O8/c1-7(21)20-5-4-9-10-6-8(2-3-11(10)19-16(9)20)27-18-14(24)12(22)13(23)15(28-18)17(25)26/h2-3,6,12-15,18-19,22-24H,4-5H2,1H3,(H,25,26)/t12-,13-,14+,15-,18+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(3-acetyl-2,4-dihydro-1H-pyrrolo[2,3-b]indol-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat