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3-demethylubiquinol-8

PropertiesImage
MNX_IDMNXM1363938 Image of MNXM1363938
referencechebi:61705
formulaC48H74O4
global charge0
mol weight715.116
InChIKeyQURLIMHPCRKMJP-WDXILIIOSA-N
InChIInChI=1S/C48H74O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,49-51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+
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)=C(C)C(O)=C1O
MNX internals
InChI (mnx)InChI=1/C48H74O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31,33,49-51H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b36-21+,37-23+,38-25+,39-27+,40-29+,41-31+,42-33+ Image of MNXM1363938
SMILES (mnx)[CH3:1][C:35]([CH3:2])=[CH:19][CH2:12][CH2:20]/[C:36]([CH3:3])=[CH:21]/[CH2:13][CH2:22]/[C:37]([CH3:4])=[CH:23]/[CH2:14][CH2:24]/[C:38]([CH3:5])=[CH:25]/[CH2:15][CH2:26]/[C:39]([CH3:6])=[CH:27]/[CH2:16][CH2:28]/[C:40]([CH3:7])=[CH:29]/[CH2:17][CH2:30]/[C:41]([CH3:8])=[CH:31]/[CH2:18][CH2:32]/[C:42]([CH3:9])=[CH:33]/[CH2:34][C:44]1=[C:43]([CH3:10])[C:45]([OH:49])=[C:47]([OH:51])[C:48]([O:52][CH3:11])=[C:46]1[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:61705
chebi:61705
QURLIMHPCRKMJP-WDXILIIOSA-N 		3-demethylubiquinol-8
2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol
3-methoxy-6-methyl-5-[(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-1,2,4-triol
OMHMB

seed.compound:cpd03449
seedM:cpd03449
QURLIMHPCRKMJP-WDXILIIOSA-N 		2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
2-Octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol
2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol
2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
3-demethylubiquinol-8
OCTAPRENYL-METHYL-OH-METHOXY-BENZQ
OMHMB

metacyc.compound:OCTAPRENYL-METHYL-OH-METHOXY-BENZQ
metacycM:OCTAPRENYL-METHYL-OH-METHOXY-BENZQ
QURLIMHPCRKMJP-WDXILIIOSA-N 		3-demethylubiquinol-8
2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol
2-octaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinone
OMHMB

seedM:M_cpd03449 		secondary/obsolete/fantasy identifier