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6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone

PropertiesImage
MNX_IDMNXM1903 Image of MNXM1903
referencechebi:28423
formulaC47H70O3
global charge0
mol weight683.074
InChIKeyAFTBILPWMUSGIN-MYCGWMCTSA-N
InChIInChI=1S/C47H70O3/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/h18,20,22,24,26,28,30,32,34-35H,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=CC(=O)C=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)C1=O
MNX internals
InChI (mnx)InChI=1/C47H70O3/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/h18,20,22,24,26,28,30,32,34-35H,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 MNXM1903
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](=[O:48])[CH:35]=[C:46]([O:50][CH3:10])[C:47]1=[O:49]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:28423
chebi:28423
AFTBILPWMUSGIN-MYCGWMCTSA-N 		6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone
2-Octaprenyl-6-methoxy-1,4-benzoquinone
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]-1,4-benzoquinone
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]cyclohexa-2,5-diene-1,4-dione
6-methoxy-2-octaprenyl-1,4-benzoquinone

bigg.metabolite:2ombz
biggM:2ombz
kegg.compound:C05813
keggC:C05813
vmhM:2ombz
vmhmetabolite:2ombz
AFTBILPWMUSGIN-MYCGWMCTSA-N 		2-Octaprenyl-6-methoxy-1,4-benzoquinone

seed.compound:cpd03447
seedM:cpd03447
AFTBILPWMUSGIN-MYCGWMCTSA-N 		2-Octaprenyl-6-methoxy-1,4-benzoquinone
2ombz
6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone

metacyc.compound:CPD-15152
metacycM:CPD-15152
AFTBILPWMUSGIN-MYCGWMCTSA-N 		6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone

chebi:1234
chebi:19730
biggM:M_2ombz
keggC:M_C05813
seedM:M_cpd03447
vmhM:M_2ombz 		secondary/obsolete/fantasy identifier