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5-methoxy-2-methyl-3-(all-trans-decaprenyl)benzene-1,4-diol

PropertiesImage
MNX_IDMNXM9808 Image of MNXM9808
referencechebi:64181
formulaC58H90O3
global charge0
mol weight835.355
InChIKeyXCOXSBLQZPFVGK-RGIWONJESA-N
InChIInChI=1S/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+
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)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)=C(C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C58H90O3/c1-44(2)23-14-24-45(3)25-15-26-46(4)27-16-28-47(5)29-17-30-48(6)31-18-32-49(7)33-19-34-50(8)35-20-36-51(9)37-21-38-52(10)39-22-40-53(11)41-42-55-54(12)56(59)43-57(61-13)58(55)60/h23,25,27,29,31,33,35,37,39,41,43,59-60H,14-22,24,26,28,30,32,34,36,38,40,42H2,1-13H3/b45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-37+,52-39+,53-41+ Image of MNXM9808
SMILES (mnx)[CH3:1][C:44]([CH3:2])=[CH:23][CH2:14][CH2:24]/[C:45]([CH3:3])=[CH:25]/[CH2:15][CH2:26]/[C:46]([CH3:4])=[CH:27]/[CH2:16][CH2:28]/[C:47]([CH3:5])=[CH:29]/[CH2:17][CH2:30]/[C:48]([CH3:6])=[CH:31]/[CH2:18][CH2:32]/[C:49]([CH3:7])=[CH:33]/[CH2:19][CH2:34]/[C:50]([CH3:8])=[CH:35]/[CH2:20][CH2:36]/[C:51]([CH3:9])=[CH:37]/[CH2:21][CH2:38]/[C:52]([CH3:10])=[CH:39]/[CH2:22][CH2:40]/[C:53]([CH3:11])=[CH:41]/[CH2:42][C:55]1=[C:54]([CH3:12])[C:56]([OH:59])=[CH:43][C:57]([O:61][CH3:13])=[C:58]1[OH:60]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-2162204
reactomeM:R-ALL-2162204
CHEBI:64181
chebi:64181
XCOXSBLQZPFVGK-RGIWONJESA-N 		5-methoxy-2-methyl-3-(all-trans-decaprenyl)benzene-1,4-diol
2-decaprenyl-6-methoxy-3-methyl-1,4-benzoquinol
2-decaprenyl-6-methoxy-3-methylhydroquinone
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-decaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-decaprenylhydroquinone

bigg.metabolite:M01165
biggM:M01165
XCOXSBLQZPFVGK-RGIWONJESA-N 		6-Methoxy-3-Methyl-2-All-Trans-Decaprenyl-1,4-Benzoquinol

vmhM:M01165
vmhmetabolite:M01165
XCOXSBLQZPFVGK-RGIWONJESA-N 		6-Methoxy-3-Methyl-2-All-Trans-Decaprenyl-1,4-Benzoquinol
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
hmdb:HMDB0062428
XCOXSBLQZPFVGK-RGIWONJESA-N 		6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol
2-Decaprenyl-6-methoxy-3-methyl-1,4-benzoquinol
3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-yl]-5-methoxy-2-methylbenzene-1,4-diol
6-Methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol
6-Methoxy-3-methyl-2-decaprenyl-1,4-benzoquinol
6-Methoxy-3-methyl-2-decaprenylhydroquinone

metacyc.compound:CPD-9871
metacycM:CPD-9871
seed.compound:cpd25886
seedM:cpd25886
XCOXSBLQZPFVGK-RGIWONJESA-N 		6-methoxy-3-methyl-2-all-trans-decaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-decaprenyl-1,4-benzoquinol
6-methoxy-5-methyl-2-decaprenyl-1,4-benzoquinol

hmdb:HMDB62428
biggM:M_M01165
seedM:M_cpd25886
vmhM:M_M01165 		secondary/obsolete/fantasy identifier