(R)-Isobyakangelicin 3'-glucoside

Properties Image MNX_ID MNXM115382 reference chebi:168553 formula C23H28O12 global charge 0 mol weight 496.465 InChIKey IDHOCZIKYQXYFE-UHFFFAOYSA-N InChI InChI=1S/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3 SMILES COC1=C2OC(=O)C=CC2=C(OCC(O)C(C)(C)OC2OC(CO)C(O)C(O)C2O)C2=C1OC=C2 MNX internals InChI (mnx) InChI=1/C23H28O12/c1-23(2,35-22-17(29)16(28)15(27)12(8-24)33-22)13(25)9-32-18-10-4-5-14(26)34-20(10)21(30-3)19-11(18)6-7-31-19/h4-7,12-13,15-17,22,24-25,27-29H,8-9H2,1-3H3/t12?,13?,15?,16?,17?,22? SMILES (mnx) [CH3:1][C:23]([CH3:2])([CH:13]([CH2:9][O:32][C:18]1=[C:10]2[CH:4]=[CH:5][C:14](=[O:26])[O:34][C:20]2=[C:21]([O:30][CH3:3])[C:19]2=[C:11]1[CH:6]=[CH:7][O:31]2)[OH:25])[O:35][CH:22]1[CH:17]([OH:29])[CH:16]([OH:28])[CH:15]([OH:27])[CH:12]([CH2:8][OH:24])[O:33]1

Parent-child relations graph

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