3-(all-trans-nonaprenyl)benzene-1,2-diol

Properties Image MNX_ID MNXM9977 reference chebi:84517 formula C51H78O2 global charge 0 mol weight 723.183 InChIKey PKYZMVIVZPJXFM-XBVQZQHUSA-N InChI InChI=1S/C51H78O2/c1-40(2)20-11-21-41(3)22-12-23-42(4)24-13-25-43(5)26-14-27-44(6)28-15-29-45(7)30-16-31-46(8)32-17-33-47(9)34-18-35-48(10)38-39-49-36-19-37-50(52)51(49)53/h19-20,22,24,26,28,30,32,34,36-38,52-53H,11-18,21,23,25,27,29,31,33,35,39H2,1-10H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-38+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC=CC(O)=C1O MNX internals InChI (mnx) InChI=1/C51H78O2/c1-40(2)20-11-21-41(3)22-12-23-42(4)24-13-25-43(5)26-14-27-44(6)28-15-29-45(7)30-16-31-46(8)32-17-33-47(9)34-18-35-48(10)38-39-49-36-19-37-50(52)51(49)53/h19-20,22,24,26,28,30,32,34,36-38,52-53H,11-18,21,23,25,27,29,31,33,35,39H2,1-10H3/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-38+ SMILES (mnx) [CH3:1][C:40]([CH3:2])=[CH:20][CH2:11][CH2:21]/[C:41]([CH3:3])=[CH:22]/[CH2:12][CH2:23]/[C:42]([CH3:4])=[CH:24]/[CH2:13][CH2:25]/[C:43]([CH3:5])=[CH:26]/[CH2:14][CH2:27]/[C:44]([CH3:6])=[CH:28]/[CH2:15][CH2:29]/[C:45]([CH3:7])=[CH:30]/[CH2:16][CH2:31]/[C:46]([CH3:8])=[CH:32]/[CH2:17][CH2:33]/[C:47]([CH3:9])=[CH:34]/[CH2:18][CH2:35]/[C:48]([CH3:10])=[CH:38]/[CH2:39][C:49]1=[C:51]([OH:53])[C:50]([OH:52])=[CH:37][CH:19]=[CH:36]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0