rotiorinol C

Properties Image MNX_ID MNXM108600 reference chebi:68786 formula C23H26O6 global charge 0 mol weight 398.455 InChIKey KRCVYHUEUHHWKT-XOEIKTSYSA-N InChI InChI=1S/C23H26O6/c1-13(9-14(2)7-8-24)5-6-17-10-16-11-19-20(15(3)25)22(27)29-23(19,4)21(26)18(16)12-28-17/h5-6,9-12,14,21,24,26H,7-8H2,1-4H3/b6-5+,13-9+/t14-,21+,23+/m0/s1 SMILES CC(=O)C1=C2C=C3C=C(/C=C/C(C)=C/[C@@H](C)CCO)OC=C3[C@@H](O)[C@]2(C)OC1=O MNX internals InChI (mnx) InChI=1/C23H26O6/c1-13(9-14(2)7-8-24)5-6-17-10-16-11-19-20(15(3)25)22(27)29-23(19,4)21(26)18(16)12-28-17/h5-6,9-12,14,21,24,26H,7-8H2,1-4H3/b6-5+,13-9+/t14-,21+,23+/m0/s1 SMILES (mnx) [CH3:1][C:13](/[CH:5]=[CH:6]/[C:17]1=[CH:10][C:16]2=[CH:11][C:19]3=[C:20]([C:15]([CH3:3])=[O:25])[C:22](=[O:27])[O:29][C@@:23]3([CH3:4])[C@H:21]([OH:26])[C:18]2=[CH:12][O:28]1)=[CH:9]\[C@@H:14]([CH3:2])[CH2:7][CH2:8][OH:24]

Parent-child relations graph

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