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

PropertiesImage
MNX_IDMNXM10366 Image of MNXM10366
referencechebi:84531
formulaC53H82O3
global charge0
mol weight767.236
InChIKeyGLNRSJSLTUCXTP-IQSNHBBHSA-N
InChIInChI=1S/C53H82O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
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)CCC=C(C)C)=C(C)C(O)=C1
MNX internals
InChI (mnx)InChI=1/C53H82O3/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-50-49(11)51(54)39-52(56-12)53(50)55/h21,23,25,27,29,31,33,35,37,39,54-55H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+ Image of MNXM10366
SMILES (mnx)[CH3:1][C:40]([CH3:2])=[CH:21][CH2:13][CH2:22]/[C:41]([CH3:3])=[CH:23]/[CH2:14][CH2:24]/[C:42]([CH3:4])=[CH:25]/[CH2:15][CH2:26]/[C:43]([CH3:5])=[CH:27]/[CH2:16][CH2:28]/[C:44]([CH3:6])=[CH:29]/[CH2:17][CH2:30]/[C:45]([CH3:7])=[CH:31]/[CH2:18][CH2:32]/[C:46]([CH3:8])=[CH:33]/[CH2:19][CH2:34]/[C:47]([CH3:9])=[CH:35]/[CH2:20][CH2:36]/[C:48]([CH3:10])=[CH:37]/[CH2:38][C:50]1=[C:49]([CH3:11])[C:51]([OH:54])=[CH:39][C:52]([O:56][CH3:12])=[C:53]1[OH:55]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:84531
chebi:84531
GLNRSJSLTUCXTP-IQSNHBBHSA-N 		5-methoxy-2-methyl-3-(all-trans-nonaprenyl)benzene-1,4-diol
2-methoxy-3-methyl-6-all-trans-nonaprenyl-1,4-benzoquinol
2-methoxy-3-methyl-6-all-trans-nonaprenylhydroquinone
2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
5-methoxy-2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol
6-methoxy-3-methyl-2-all-trans-nonaprenylhydroquinone
6-methoxy-3-methyl-2-nonaprenyl-1,4-benzoquinol

seed.compound:cpd25887
seedM:cpd25887
GLNRSJSLTUCXTP-IQSNHBBHSA-N 		2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
6-methoxy-3-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol
6-methoxy-3-methyl-2-nonaprenyl-1,4-benzoquinol

metacyc.compound:CPD-9872
metacycM:CPD-9872
GLNRSJSLTUCXTP-IQSNHBBHSA-N 		6-methoxy-3-methyl-2-all-trans-nonaprenyl-1,4-benzoquinol
2-nonaprenyl-3-methyl-6-methoxy-1,4-benzoquinol
6-methoxy-3-methyl-2-nonaprenyl-1,4-benzoquinol

seedM:M_cpd25887 		secondary/obsolete/fantasy identifier