Analyte Name

SN-38 Glucuronide

CAS Number

121080-63-5

Molecular Formula

C28 H28 N2 O11

Molecular Weight

568.53

Accurate Mass

568.1693

SMILES

CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)cc15)[C@@](O)(CC)C(=O)OC4

InChI

InChI=1S/C28H28N2O11/c1-3-12-13-7-11(40-26-22(33)20(31)21(32)23(41-26)25(35)36)5-6-17(13)29-19-14(12)9-30-18(19)8-16-15(24(30)34)10-39-27(37)28(16,38)4-2/h5-8,20-23,26,31-33,38H,3-4,9-10H2,1-2H3,(H,35,36)/t20-,21-,22+,23-,26+,28-/m0/s1

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family