3-O-(Rhaa1-3Glcb1-2(Xylb1-3)Glcb1-4Galb)-(25R)-12-oxo-5alpha-spirostan-3beta-ol

Properties Image Occurences in reactions MNX_ID MNXM22799 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C56H90O27 charge 0 mass 1194.56695 reference lipidmapsM:LMST01080083 InChIKey MOURACYJJDSTSZ-XJDIWPDZSA-N InChI InChI=1S/C56H90O27/c1-20-8-11-56(73-18-20)21(2)34-29(83-56)13-27-25-7-6-23-12-24(9-10-54(23,4)26(25)14-33(61)55(27,34)5)75-51-43(70)40(67)45(32(17-59)78-51)79-53-48(47(38(65)31(16-58)77-53)81-49-41(68)36(63)28(60)19-72-49)82-52-44(71)46(37(64)30(15-57)76-52)80-50-42(69)39(66)35(62)22(3)74-50/h20-32,34-53,57-60,62-71H,6-19H2,1-5H3/t20-,21?,22?,23+,24+,25-,26+,27+,28-,29+,30?,31?,32?,34+,35+,36+,37-,38-,39?,40-,41?,42+,43?,44?,45+,46+,47+,48?,49+,50+,51-,52+,53+,54+,55-,56-/m1/s1 SMILES CC1O[C@@H](O[C@@H]2C(O)[C@H](OC3[C@H](O[C@H]4C(CO)O[C@@H](O[C@H]5CC[C@@]6(C)[C@@H](CC[C@@H]7[C@@H]6CC(=O)[C@@]6(C)[C@H]7C[C@@H]7O[C@]8(CC[C@@H](C)CO8)C(C)[C@@H]76)C5)C(O)[C@H]4O)OC(CO)[C@@H](O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)C3O)OC(CO)[C@H]2O)[C@@H](O)C(O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph