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

Properties

Image

Occurences in reactions

MNX_ID

MNXM90440

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

formula

C₄₈H₇₂O₃

charge

mass

696.54815

reference

chebi:28636

InChIKey

FLYBTLROCQBHMR-KFSSTAEESA-N

InChI

InChI=1S/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33,35H,12-18,20,22,24,26,28,30,32,34H2,1-11H3/b37-21+,38-23+,39-25+,40-27+,41-29+,42-31+,43-33+

SMILES

COC1=CC(=O)C(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28636 chebi:28636	3-methyl-6-methoxy-2-all-trans-octaprenyl-1,4-benzoquinone 2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone 2-methyl-5-methoxy-3-[(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 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone
bigg.metabolite:2ommb biggM:2ommb kegg.compound:C05814 keggC:C05814	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone
seed.compound:cpd03448 seedM:cpd03448	2-Octaprenyl-3-methyl-6-methoxy-1,4-benzoquinone 2ommb 3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone
metacyc.compound:CPD-15153 metacycM:CPD-15153	3-methyl-6-methoxy-2-octaprenyl-1,4-benzoquinone
chebi:1232 chebi:19729 biggM:M_2ommb keggC:M_C05814 seedM:M_cpd03448	secondary/obsolete/fantasy identifier