**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

o-demethylated olodaterol glucuronide 2

Properties Image MNX_ID MNXM1594067 reference vmhM:demetholodgluc2 vmhM:demetholodgluc2 formula C26H32N2O11 global charge 0 mol weight 548.545 InChIKey WWQVSFXEPIZRRU-HSUUPPIUSA-N InChI InChI=1S/C26H32N2O11/c1-26(2,27-10-17(30)15-7-13(29)8-16-22(15)37-11-18(31)28-16)9-12-3-5-14(6-4-12)38-25-21(34)19(32)20(33)23(39-25)24(35)36/h3-8,17,19-21,23,25,27,29-30,32-34H,9-11H2,1-2H3,(H,28,31)(H,35,36)/t17-,19+,20+,21-,23+,25-/m1/s1 SMILES CC(C)(Cc1ccc(O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 MNX internals InChI (mnx) InChI=1/C26H32N2O11/c1-26(2,27-10-17(30)15-7-13(29)8-16-22(15)37-11-18(31)28-16)9-12-3-5-14(6-4-12)38-25-21(34)19(32)20(33)23(39-25)24(35)36/h3-8,17,19-21,23,25,27,29-30,32-34H,9-11H2,1-2H3,(H,28,31)(H,35,36)/t17-,19+,20+,21-,23+,25-/m1/s1 SMILES (mnx) [CH3:1][C:26]([CH3:2])([CH2:9][c:12]1[cH:3][cH:5][c:14]([O:38][C@H:25]2[C@H:21]([OH:34])[C@@H:19]([OH:32])[C@H:20]([OH:33])[C@@H:23]([C:24](=[O:35])[OH:36])[O:39]2)[cH:6][cH:4]1)[NH:27][CH2:10][C@H:17]([c:15]1[cH:7][c:13]([OH:29])[cH:8][c:16]2[c:22]1[O:37][CH2:11][C:18](=[O:31])[NH:28]2)[OH:30]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:demetholodgluc2 vmhM:demetholodgluc2 vmhmetabolite:demetholodgluc2 vmhmetabolite:demetholodgluc2 WWQVSFXEPIZRRU-HSUUPPIUSA-N	o-demethylated olodaterol glucuronide 2
vmhM:M_demetholodgluc2	secondary/obsolete/fantasy identifier