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

olodaterol glucuronide 2

Properties Image MNX_ID MNXM1595888 reference vmhM:olodgluc2 vmhM:olodgluc2 formula C27H34N2O11 global charge 0 mol weight 562.572 InChIKey GCORXAFQUNNFFV-QNBAHRMXSA-N InChI InChI=1S/C27H34N2O11/c1-27(2,10-13-4-6-14(37-3)7-5-13)28-11-18(30)16-8-15(9-17-23(16)38-12-19(31)29-17)39-26-22(34)20(32)21(33)24(40-26)25(35)36/h4-9,18,20-22,24,26,28,30,32-34H,10-12H2,1-3H3,(H,29,31)(H,35,36)/t18?,20-,21-,22+,24-,26+/m0/s1 SMILES COc1ccc(CC(C)(C)[NH2+]CC(O)c2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)cc3c2OCC(=O)N3)cc1 MNX internals InChI (mnx) InChI=1/C27H34N2O11/c1-27(2,10-13-4-6-14(37-3)7-5-13)28-11-18(30)16-8-15(9-17-23(16)38-12-19(31)29-17)39-26-22(34)20(32)21(33)24(40-26)25(35)36/h4-9,18,20-22,24,26,28,30,32-34H,10-12H2,1-3H3,(H,29,31)(H,35,36)/t18?,20-,21-,22+,24-,26+/m0/s1 SMILES (mnx) [CH3:1][C:27]([CH3:2])([CH2:10][c:13]1[cH:4][cH:6][c:14]([O:37][CH3:3])[cH:7][cH:5]1)[NH:28][CH2:11][CH:18]([c:16]1[cH:8][c:15]([O:39][C@H:26]2[C@H:22]([OH:34])[C@@H:20]([OH:32])[C@H:21]([OH:33])[C@@H:24]([C:25]([OH:35])=[O:36])[O:40]2)[cH:9][c:17]2[c:23]1[O:38][CH2:12][C:19](=[O:31])[NH:29]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:olodgluc2 vmhM:olodgluc2 vmhmetabolite:olodgluc2 vmhmetabolite:olodgluc2 GCORXAFQUNNFFV-QNBAHRMXSA-N	olodaterol glucuronide 2
vmhM:M_olodgluc2	secondary/obsolete/fantasy identifier