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

MNXM90444 is deprecated and here replaced by MNXM1372538
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1372538 Image of MNXM1372538
referencebiggM:2ombzl
formulaC47H72O3
global charge0
mol weight685.09
InChIKeyCZFRMASEEPTBAQ-UHFFFAOYSA-N
InChIInChI=1S/C47H72O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,48-49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3
SMILESCOC1=CC(O)=CC(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/C47H72O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,48-49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3/b37-20?,38-22?,39-24?,40-26?,41-28?,42-30?,43-32? Image of MNXM1372538
SMILES (mnx)[CH3:1][C:36]([CH3:2])=[CH:18][CH2:11][CH2:19][C:37]([CH3:3])=[CH:20][CH2:12][CH2:21][C:38]([CH3:4])=[CH:22][CH2:13][CH2:23][C:39]([CH3:5])=[CH:24][CH2:14][CH2:25][C:40]([CH3:6])=[CH:26][CH2:15][CH2:27][C:41]([CH3:7])=[CH:28][CH2:16][CH2:29][C:42]([CH3:8])=[CH:30][CH2:17][CH2:31][C:43]([CH3:9])=[CH:32][CH2:33][C:44]1=[CH:34][C:45]([OH:48])=[CH:35][C:46]([O:50][CH3:10])=[C:47]1[OH:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:2ombzl
biggM:2ombzl
vmhM:2ombzl
vmhmetabolite:2ombzl
CZFRMASEEPTBAQ-UHFFFAOYSA-N 		2-Octaprenyl-6-methoxy-1,4-benzoquinol

biggM:M_2ombzl
vmhM:M_2ombzl 		secondary/obsolete/fantasy identifier