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

Properties Image MNX_ID MNXM9976 reference chebi:84516 formula C41H62O2 global charge 0 mol weight 586.945 InChIKey OOYKEXOZUBWOSX-NFDZFSPWSA-N InChI InChI=1S/C41H62O2/c1-32(2)16-9-17-33(3)18-10-19-34(4)20-11-21-35(5)22-12-23-36(6)24-13-25-37(7)26-14-27-38(8)30-31-39-28-15-29-40(42)41(39)43/h15-16,18,20,22,24,26,28-30,42-43H,9-14,17,19,21,23,25,27,31H2,1-8H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-30+ 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/CC1=CC=CC(O)=C1O MNX internals InChI (mnx) InChI=1/C41H62O2/c1-32(2)16-9-17-33(3)18-10-19-34(4)20-11-21-35(5)22-12-23-36(6)24-13-25-37(7)26-14-27-38(8)30-31-39-28-15-29-40(42)41(39)43/h15-16,18,20,22,24,26,28-30,42-43H,9-14,17,19,21,23,25,27,31H2,1-8H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-30+ SMILES (mnx) [CH3:1][C:32]([CH3:2])=[CH:16][CH2:9][CH2:17]/[C:33]([CH3:3])=[CH:18]/[CH2:10][CH2:19]/[C:34]([CH3:4])=[CH:20]/[CH2:11][CH2:21]/[C:35]([CH3:5])=[CH:22]/[CH2:12][CH2:23]/[C:36]([CH3:6])=[CH:24]/[CH2:13][CH2:25]/[C:37]([CH3:7])=[CH:26]/[CH2:14][CH2:27]/[C:38]([CH3:8])=[CH:30]/[CH2:31][C:39]1=[C:41]([OH:43])[C:40]([OH:42])=[CH:29][CH:15]=[CH:28]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0