1'-hydroxytorulene

Properties Image MNX_ID MNXM5398 reference chebi:80134 formula C40H56O global charge 0 mol weight 552.887 InChIKey JLURGIFQNZBRAB-CJXMTMHDSA-N InChI InChI=1S/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+ SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/CC(C)(C)O)C(C)(C)CCC1 MNX internals InChI (mnx) InChI=1/C40H56O/c1-32(20-13-22-34(3)23-14-24-35(4)26-16-31-40(9,10)41)18-11-12-19-33(2)21-15-25-36(5)28-29-38-37(6)27-17-30-39(38,7)8/h11-16,18-26,28-29,41H,17,27,30-31H2,1-10H3/b12-11+,20-13+,21-15+,23-14+,26-16+,29-28+,32-18+,33-19+,34-22+,35-24+,36-25+ SMILES (mnx) [CH3:1][C:32](=[CH:18]\[CH:11]=[CH:12]\[CH:19]=[C:33]([CH3:2])\[CH:21]=[CH:15]\[CH:25]=[C:36]([CH3:5])\[CH:28]=[CH:29]\[C:38]1=[C:37]([CH3:6])[CH2:27][CH2:17][CH2:30][C:39]1([CH3:7])[CH3:8])/[CH:20]=[CH:13]/[CH:22]=[C:34]([CH3:3])/[CH:23]=[CH:14]/[CH:24]=[C:35]([CH3:4])/[CH:26]=[CH:16]/[CH2:31][C:40]([CH3:9])([CH3:10])[OH:41]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0