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

PropertiesImage
MNX_IDMNXM9852 Image of MNXM9852
referencechebi:84528
formulaC42H64O3
global charge0
mol weight616.971
InChIKeyWEGXYVFDOLUULO-TUUMQRACSA-N
InChIInChI=1S/C42H64O3/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43)31-41(45-9)42(39)44/h16,18,20,22,24,26,28,30-31,43-44H,10-15,17,19,21,23,25,27,29H2,1-9H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+
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)CCC=C(C)C)=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C42H64O3/c1-32(2)16-10-17-33(3)18-11-19-34(4)20-12-21-35(5)22-13-23-36(6)24-14-25-37(7)26-15-27-38(8)28-29-39-30-40(43)31-41(45-9)42(39)44/h16,18,20,22,24,26,28,30-31,43-44H,10-15,17,19,21,23,25,27,29H2,1-9H3/b33-18+,34-20+,35-22+,36-24+,37-26+,38-28+ Image of MNXM9852
SMILES (mnx)[CH3:1][C:32]([CH3:2])=[CH:16][CH2:10][CH2:17]/[C:33]([CH3:3])=[CH:18]/[CH2:11][CH2:19]/[C:34]([CH3:4])=[CH:20]/[CH2:12][CH2:21]/[C:35]([CH3:5])=[CH:22]/[CH2:13][CH2:23]/[C:36]([CH3:6])=[CH:24]/[CH2:14][CH2:25]/[C:37]([CH3:7])=[CH:26]/[CH2:15][CH2:27]/[C:38]([CH3:8])=[CH:28]/[CH2:29][C:39]1=[CH:30][C:40]([OH:43])=[CH:31][C:41]([O:45][CH3:9])=[C:42]1[OH:44]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84528
chebi:84528
WEGXYVFDOLUULO-TUUMQRACSA-N 		2-methoxy-6-(all-trans-heptaprenyl)benzene-1,4-diol
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl]-6-methoxybenzene-1,4-diol
2-methoxy-6-all-trans-heptaprenylhydroquinone
6-heptaprenyl-2-methoxy-1,4-benzoquinol
all-trans-2-heptaprenyl-6-methoxyhydroquinone

metacyc.compound:CPD-9858
metacycM:CPD-9858
WEGXYVFDOLUULO-TUUMQRACSA-N 		2-methoxy-6-all trans-heptaprenyl-1,4-benzoquinol
2-methoxy-6-heptaprenyl-1,4-benzoquinol

seed.compound:cpd25876
seedM:cpd25876
WEGXYVFDOLUULO-TUUMQRACSA-N 		2-methoxy-6-all trans-heptaprenyl-2-methoxy-1,4-benzoquinol
2-methoxy-6-all trans-heptaprenyl-1,4-benzoquinol
2-methoxy-6-heptaprenyl-1,4-benzoquinol
2-methoxy-6-heptaprenyl-2-methoxy-1,4-benzoquinol

seedM:M_cpd25876 		secondary/obsolete/fantasy identifier