2-demethylmenaquinol-6

Properties Image MNX_ID MNXM8527 reference chebi:84539 formula C40H56O2 global charge 0 mol weight 568.886 InChIKey UFAXPZAZHZPELJ-ROTSUDQPSA-N InChI InChI=1S/C40H56O2/c1-30(2)15-10-16-31(3)17-11-18-32(4)19-12-20-33(5)21-13-22-34(6)23-14-24-35(7)27-28-36-29-39(41)37-25-8-9-26-38(37)40(36)42/h8-9,15,17,19,21,23,25-27,29,41-42H,10-14,16,18,20,22,24,28H2,1-7H3/b31-17+,32-19+,33-21+,34-23+,35-27+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(O)=C2C=CC=CC2=C1O MNX internals InChI (mnx) InChI=1/C40H56O2/c1-30(2)15-10-16-31(3)17-11-18-32(4)19-12-20-33(5)21-13-22-34(6)23-14-24-35(7)27-28-36-29-39(41)37-25-8-9-26-38(37)40(36)42/h8-9,15,17,19,21,23,25-27,29,41-42H,10-14,16,18,20,22,24,28H2,1-7H3/b31-17+,32-19+,33-21+,34-23+,35-27+ SMILES (mnx) [CH3:1][C:30]([CH3:2])=[CH:15][CH2:10][CH2:16]/[C:31]([CH3:3])=[CH:17]/[CH2:11][CH2:18]/[C:32]([CH3:4])=[CH:19]/[CH2:12][CH2:20]/[C:33]([CH3:5])=[CH:21]/[CH2:13][CH2:22]/[C:34]([CH3:6])=[CH:23]/[CH2:14][CH2:24]/[C:35]([CH3:7])=[CH:27]/[CH2:28][C:36]1=[C:40]([OH:42])[C:38]2=[CH:26][CH:9]=[CH:8][CH:25]=[C:37]2[C:39]([OH:41])=[CH:29]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0