17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucosiduronate

Properties Image Occurences in reactions MNX_ID MNXM4257 #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0 formula C32H44NO13 charge -1 mass 650.28181 reference chebi:73194 InChIKey BHYDXVJSMVVTCR-JHZMAZKOSA-M InChI InChI=1S/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34,36-40H,3,5,7-10,12H2,1-2H3,(H,33,35)(H,41,42)/p-1/t17-,18-,19+,20-,21-,22-,23-,24-,25+,26+,27-,28+,30-,31-,32+/m1/s1 SMILES CC(=O)N[C@H]1[C@@H](O[C@@H]2CC[C@H]3[C@@H]4CCc5cc(O[C@@H]6O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]6O)ccc5[C@H]4CC[C@@]32C)O[C@H](CO)[C@@H](O)[C@@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph