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2-Octaprenyl-3-methyl-6-methoxy- 1,4-benzoquinol

MNXM1104227 is deprecated and here replaced by MNXM1363931
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1363931 Image of MNXM1363931
referencebiggM:2ommbl
formulaC48H74O3
global charge0
mol weight699.117
InChIKeyHDSGDGSLNMIMKU-UHFFFAOYSA-N
InChIInChI=1S/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3
SMILESCOC1=CC(O)=C(C)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C1O
MNX internals
InChI (mnx)InChI=1/C48H74O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35,49-50H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21?,38-23?,39-25?,40-27?,41-29?,42-31?,43-33? Image of MNXM1363931
SMILES (mnx)[CH3:1][C:36]([CH3:2])=[CH:19][CH2:12][CH2:20][C:37]([CH3:3])=[CH:21][CH2:13][CH2:22][C:38]([CH3:4])=[CH:23][CH2:14][CH2:24][C:39]([CH3:5])=[CH:25][CH2:15][CH2:26][C:40]([CH3:6])=[CH:27][CH2:16][CH2:28][C:41]([CH3:7])=[CH:29][CH2:17][CH2:30][C:42]([CH3:8])=[CH:31][CH2:18][CH2:32][C:43]([CH3:9])=[CH:33][CH2:34][C:45]1=[C:44]([CH3:10])[C:46]([OH:49])=[CH:35][C:47]([O:51][CH3:11])=[C:48]1[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:2ommbl
biggM:2ommbl
vmhM:2ommbl
vmhmetabolite:2ommbl
HDSGDGSLNMIMKU-UHFFFAOYSA-N 		2-Octaprenyl-3-methyl-6-methoxy- 1,4-benzoquinol

biggM:M_2ommbl
vmhM:M_2ommbl 		secondary/obsolete/fantasy identifier