Search MNXref
 Feedback

2-methoxy-6-(all-trans-octaprenyl)benzene-1,4-diol

PropertiesImage
MNX_IDMNXM1372539 Image of MNXM1372539
referencechebi:60655
formulaC47H72O3
global charge0
mol weight685.09
InChIKeyCZFRMASEEPTBAQ-MYCGWMCTSA-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/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+
SMILESCOC1=C(O)C(C/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)CCC=C(C)C)=CC(O)=C1
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 MNXM1372539
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)8
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60655
chebi:60655
CZFRMASEEPTBAQ-MYCGWMCTSA-N 		2-methoxy-6-(all-trans-octaprenyl)benzene-1,4-diol
2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,4-diol
2-octaprenyl-6-methoxy-1,4-benzoquinol
6-methoxy-2-octaprenylhydroquinone
6-methoxy-2-octaprenylquinol

seed.compound:cpd15359
seedM:cpd15359
CZFRMASEEPTBAQ-MYCGWMCTSA-N 		2-Octaprenyl-6-methoxy-1,4-benzoquinol
2-Octaprenyl-6-methoxy-1-4-benzoquinol
2-methoxy-6-all trans-octaprenyl-1,4-benzoquinol
2-methoxy-6-all trans-octaprenyl-2-methoxy-1,4-benzoquinol
2-methoxy-6-octaprenyl-2-methoxy-1,4-benzoquinol
2-octaprenyl-6-methoxy-1,4-benzoquinol
2-octaprenyl-6-methoxy-benzene-1,4-diol
2-octaprenyl-6-methoxyhydroquinone
2-octaprenyl-6-methoxyquinol
2ombzl

metacyc.compound:OCTAPRENYL-METHOXY-BENZOQUINONE
metacycM:OCTAPRENYL-METHOXY-BENZOQUINONE
CZFRMASEEPTBAQ-MYCGWMCTSA-N 		2-methoxy-6-all trans-octaprenyl-1,4-benzoquinol
2-octaprenyl-6-methoxy-benzene-1,4-diol
2-octaprenyl-6-methoxyhydroquinone
2-octaprenyl-6-methoxyquinol

seedM:M_cpd15359 		secondary/obsolete/fantasy identifier