Metachromin V

Properties Image MNX_ID MNXM106571 reference chebi:68114 formula C21H30O2 global charge 0 mol weight 314.469 InChIKey JJJNVPBHJYTLFL-VIZOYTHASA-N InChI InChI=1S/C21H30O2/c1-15(7-9-17-14-18(22)10-12-20(17)23)8-11-19-16(2)6-5-13-21(19,3)4/h7,10,12,14,19,22-23H,2,5-6,8-9,11,13H2,1,3-4H3/b15-7+ SMILES C=C1CCCC(C)(C)C1CC/C(C)=C/CC1=C(O)C=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C21H30O2/c1-15(7-9-17-14-18(22)10-12-20(17)23)8-11-19-16(2)6-5-13-21(19,3)4/h7,10,12,14,19,22-23H,2,5-6,8-9,11,13H2,1,3-4H3/b15-7+/t19? SMILES (mnx) [CH3:1]/[C:15](=[CH:7]\[CH2:9][C:17]1=[C:20]([OH:23])[CH:12]=[CH:10][C:18]([OH:22])=[CH:14]1)[CH2:8][CH2:11][CH:19]1[C:16](=[CH2:2])[CH2:6][CH2:5][CH2:13][C:21]1([CH3:3])[CH3:4]

Parent-child relations graph

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