Metachromin U

Properties Image MNX_ID MNXM106570 reference chebi:68113 formula C22H30O3 global charge 0 mol weight 342.479 InChIKey OKZZLCIFQGFNCQ-UHFFFAOYSA-N InChI InChI=1S/C22H30O3/c1-15-7-6-10-21(2,3)18(15)9-12-22(4)11-8-16-13-17(23)14-19(24-5)20(16)25-22/h8,11,13-14,18,23H,1,6-7,9-10,12H2,2-5H3 SMILES C=C1CCCC(C)(C)C1CCC1(C)C=CC2=C(O1)C(OC)=CC(O)=C2 MNX internals InChI (mnx) InChI=1/C22H30O3/c1-15-7-6-10-21(2,3)18(15)9-12-22(4)11-8-16-13-17(23)14-19(24-5)20(16)25-22/h8,11,13-14,18,23H,1,6-7,9-10,12H2,2-5H3/t18?,22? SMILES (mnx) [CH2:1]=[C:15]1[CH2:7][CH2:6][CH2:10][C:21]([CH3:2])([CH3:3])[CH:18]1[CH2:9][CH2:12][C:22]1([CH3:4])[CH:11]=[CH:8][C:16]2=[CH:13][C:17]([OH:23])=[CH:14][C:19]([O:24][CH3:5])=[C:20]2[O:25]1

Parent-child relations graph

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